data_4ZNN
# 
_entry.id   4ZNN 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.068 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   4ZNN         
WWPDB D_1000209579 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 2015-09-09 2015-05-05 ? 4ZNN 0 
2 2015-09-23 ?          ? 4ZNN 1 
3 2015-10-07 ?          ? 4ZNN 1 
4 2016-11-30 ?          ? 4ZNN 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 JRNL   ? 
3 JRNL   ? 
4 REMARK ? 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB  'Another segment from alpha-synuclein' 4RIL     unspecified            
EMDB .                                      EMD-3001 'associated EM volume' 
# 
_pdbx_database_status.status_code                      REL 
_pdbx_database_status.status_code_sf                   REL 
_pdbx_database_status.status_code_mr                   ? 
_pdbx_database_status.entry_id                         4ZNN 
_pdbx_database_status.date_begin_release_preparation   . 
_pdbx_database_status.SG_entry                         N 
_pdbx_database_status.deposit_site                     RCSB 
_pdbx_database_status.process_site                     RCSB 
_pdbx_database_status.methods_development_category     ? 
_pdbx_database_status.pdb_format_compatible            Y 
# 
loop_
_audit_author.address 
_audit_author.name 
_audit_author.pdbx_ordinal 
? 'Rodriguez, J.A.'   1  
? 'Ivanova, M.'       2  
? 'Sawaya, M.R.'      3  
? 'Cascio, D.'        4  
? 'Reyes, F.'         5  
? 'Shi, D.'           6  
? 'Johnson, L.'       7  
? 'Guenther, E.'      8  
? 'Sangwan, S.'       9  
? 'Hattne, J.'        10 
? 'Nannenga, B.'      11 
? 'Brewster, A.S.'    12 
? 'Messerschmidt, M.' 13 
? 'Boutet, S.'        14 
? 'Sauter, N.K.'      15 
? 'Gonen, T.'         16 
? 'Eisenberg, D.S.'   17 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Nature 
_citation.journal_id_ASTM           NATUAS 
_citation.journal_id_CSD            0006 
_citation.journal_id_ISSN           1476-4687 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            525 
_citation.language                  ? 
_citation.page_first                486 
_citation.page_last                 490 
_citation.title                     'Structure of the toxic core of alpha-synuclein from invisible crystals.' 
_citation.year                      2015 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/nature15368 
_citation.pdbx_database_id_PubMed   26352473 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Rodriguez, J.A.'   1  
primary 'Ivanova, M.I.'     2  
primary 'Sawaya, M.R.'      3  
primary 'Cascio, D.'        4  
primary 'Reyes, F.E.'       5  
primary 'Shi, D.'           6  
primary 'Sangwan, S.'       7  
primary 'Guenther, E.L.'    8  
primary 'Johnson, L.M.'     9  
primary 'Zhang, M.'         10 
primary 'Jiang, L.'         11 
primary 'Arbing, M.A.'      12 
primary 'Nannenga, B.L.'    13 
primary 'Hattne, J.'        14 
primary 'Whitelegge, J.'    15 
primary 'Brewster, A.S.'    16 
primary 'Messerschmidt, M.' 17 
primary 'Boutet, S.'        18 
primary 'Sauter, N.K.'      19 
primary 'Gonen, T.'         20 
primary 'Eisenberg, D.S.'   21 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   94.330 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     4ZNN 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     17.930 
_cell.length_a_esd                 ? 
_cell.length_b                     4.710 
_cell.length_b_esd                 ? 
_cell.length_c                     33.030 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         4ZNN 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer syn Alpha-synuclein 940.074 1 ? A53T ? ? 
2 water   nat water           18.015  4 ? ?    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Non-A beta component of AD amyloid,Non-A4 component of amyloid precursor,NACP' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       GVVHGVTTVA 
_entity_poly.pdbx_seq_one_letter_code_can   GVVHGVTTVA 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  VAL n 
1 3  VAL n 
1 4  HIS n 
1 5  GLY n 
1 6  VAL n 
1 7  THR n 
1 8  THR n 
1 9  VAL n 
1 10 ALA n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       10 
_pdbx_entity_src_syn.organism_scientific    'Homo sapiens' 
_pdbx_entity_src_syn.organism_common_name   Human 
_pdbx_entity_src_syn.ncbi_taxonomy_id       9606 
_pdbx_entity_src_syn.details                'Synthetic peptide GVVHGVTTVA corresponding to segment 47-56 of human alpha-synuclein' 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SYUA_HUMAN 
_struct_ref.pdbx_db_accession          P37840 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   GVVHGVATVA 
_struct_ref.pdbx_align_begin           47 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              4ZNN 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 10 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P37840 
_struct_ref_seq.db_align_beg                  47 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  56 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       47 
_struct_ref_seq.pdbx_auth_seq_align_end       56 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             4ZNN 
_struct_ref_seq_dif.mon_id                       THR 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      7 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P37840 
_struct_ref_seq_dif.db_mon_id                    ALA 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          53 
_struct_ref_seq_dif.details                      'engineered mutation' 
_struct_ref_seq_dif.pdbx_auth_seq_num            53 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE   ? 'C3 H7 N O2'     89.093  
GLY 'peptide linking'   y GLYCINE   ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER     ? 'H2 O'           18.015  
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
VAL 'L-peptide linking' y VALINE    ? 'C5 H11 N O2'    117.146 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   4ZNN 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'ELECTRON CRYSTALLOGRAPHY' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            ? 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         ? 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'BATCH MODE' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            310 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;1 mg of synthetic peptide GVVHGVTTVA was dissolved in 200 microliters of 50 mM phosphate buffer pH 7.0 and 0.1% w/v DMSO and shaken overnight in an orbital mixing plate
;
_exptl_crystal_grow.pdbx_pH_range   7.0 
# 
_diffrn.ambient_environment    ? 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.ambient_temp_esd       ? 
_diffrn.crystal_id             1 
_diffrn.crystal_support        ? 
_diffrn.crystal_treatment      ? 
_diffrn.details                ? 
_diffrn.id                     1 
_diffrn.ambient_pressure       ? 
_diffrn.ambient_pressure_esd   ? 
_diffrn.ambient_pressure_gt    ? 
_diffrn.ambient_pressure_lt    ? 
_diffrn.ambient_temp_gt        ? 
_diffrn.ambient_temp_lt        ? 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         ? 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2015-04-20 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             electron 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.0251 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ELECTRON MICROSCOPE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        OTHER 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.0251 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate            22.483 
_reflns.entry_id                         4ZNN 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                1.410 
_reflns.d_resolution_low                 16.5 
_reflns.details                          ? 
_reflns.limit_h_max                      ? 
_reflns.limit_h_min                      ? 
_reflns.limit_k_max                      ? 
_reflns.limit_k_min                      ? 
_reflns.limit_l_max                      ? 
_reflns.limit_l_min                      ? 
_reflns.number_all                       ? 
_reflns.number_obs                       1120 
_reflns.observed_criterion               ? 
_reflns.observed_criterion_F_max         ? 
_reflns.observed_criterion_F_min         ? 
_reflns.observed_criterion_I_max         ? 
_reflns.observed_criterion_I_min         ? 
_reflns.observed_criterion_sigma_F       ? 
_reflns.observed_criterion_sigma_I       -3.000 
_reflns.percent_possible_obs             86.900 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     0.967 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  3.7 
_reflns.pdbx_Rmerge_I_obs                0.236 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            4.620 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 0.831 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  0.264 
_reflns.pdbx_Rpim_I_all                  ? 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         4110 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     ? 
_reflns.pdbx_R_split                     ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_R_split 
1.410 1.480 ? 1.080  ? 323 171 ? 100 58.500 ? ? 0.628 ? 0.780 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.895 ? 0 1  1 ? ? 
1.480 1.560 ? 2.170  ? 523 175 ? 140 80.000 ? ? 0.664 ? 0.503 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.572 ? 0 2  1 ? ? 
1.560 1.650 ? 2.370  ? 417 137 ? 125 91.200 ? ? 0.824 ? 0.417 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.480 ? 0 3  1 ? ? 
1.650 1.770 ? 2.330  ? 375 121 ? 116 95.900 ? ? 0.826 ? 0.417 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.496 ? 0 4  1 ? ? 
1.770 1.910 ? 3.780  ? 443 124 ? 116 93.500 ? ? 0.937 ? 0.290 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.334 ? 0 5  1 ? ? 
1.910 2.090 ? 5.190  ? 530 133 ? 126 94.700 ? ? 0.975 ? 0.262 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.298 ? 0 6  1 ? ? 
2.090 2.340 ? 6.270  ? 552 129 ? 122 94.600 ? ? 0.941 ? 0.269 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.303 ? 0 7  1 ? ? 
2.340 2.700 ? 6.330  ? 263 85  ? 78  91.800 ? ? 0.969 ? 0.203 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.237 ? 0 8  1 ? ? 
2.700 3.310 ? 8.020  ? 263 88  ? 81  92.000 ? ? 0.991 ? 0.144 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.170 ? 0 9  1 ? ? 
3.310 4.680 ? 11.770 ? 337 85  ? 80  94.100 ? ? 0.949 ? 0.256 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.279 ? 0 10 1 ? ? 
4.680 16.5  ? 7.180  ? 84  41  ? 36  87.800 ? ? 0.987 ? 0.078 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.100 ? 0 11 1 ? ? 
# 
_refine.aniso_B[1][1]                            1.0800 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            0.0100 
_refine.aniso_B[2][2]                            -1.1300 
_refine.aniso_B[2][3]                            -0.0000 
_refine.aniso_B[3][3]                            0.0500 
_refine.B_iso_max                                50.340 
_refine.B_iso_mean                               18.3710 
_refine.B_iso_min                                11.230 
_refine.correlation_coeff_Fo_to_Fc               0.9530 
_refine.correlation_coeff_Fo_to_Fc_free          0.9580 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 4ZNN 
_refine.pdbx_refine_id                           'ELECTRON CRYSTALLOGRAPHY' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.4100 
_refine.ls_d_res_low                             16.4700 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     1006 
_refine.ls_number_reflns_R_free                  112 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    86.7300 
_refine.ls_percent_reflns_R_free                 10.0000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2396 
_refine.ls_R_factor_R_free                       0.2817 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2347 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      0.2879 
_refine.ls_wR_factor_R_work                      0.2427 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      'Ideal model' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.1120 
_refine.pdbx_overall_ESU_R_Free                  0.1140 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             3.4910 
_refine.overall_SU_ML                            0.1110 
_refine.overall_SU_R_Cruickshank_DPI             0.1115 
_refine.overall_SU_R_free                        0.1137 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   0.6203 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'ELECTRON CRYSTALLOGRAPHY' 
_refine_hist.d_res_high                       1.4100 
_refine_hist.d_res_low                        16.4700 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             4 
_refine_hist.number_atoms_total               70 
_refine_hist.pdbx_number_residues_total       10 
_refine_hist.pdbx_B_iso_mean_solvent          24.58 
_refine_hist.pdbx_number_atoms_protein        66 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'ELECTRON CRYSTALLOGRAPHY' ? 0.020  0.019  66  ? r_bond_refined_d       ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.154  0.020  69  ? r_bond_other_d         ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 1.977  1.905  91  ? r_angle_refined_deg    ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 3.442  3.000  155 ? r_angle_other_deg      ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 5.506  5.000  9   ? r_dihedral_angle_1_deg ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 75.764 20.000 1   ? r_dihedral_angle_2_deg ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 6.335  15.000 7   ? r_dihedral_angle_3_deg ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.065  0.200  14  ? r_chiral_restr         ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.006  0.020  73  ? r_gen_planes_refined   ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.001  0.020  13  ? r_gen_planes_other     ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 3.934  1.542  39  ? r_mcbond_it            ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 1.925  1.468  38  ? r_mcbond_other         ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 5.296  2.279  42  ? r_mcangle_it           ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'ELECTRON CRYSTALLOGRAPHY' 
_refine_ls_shell.d_res_high                       1.4090 
_refine_ls_shell.d_res_low                        1.5740 
_refine_ls_shell.number_reflns_all                265 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             26 
_refine_ls_shell.number_reflns_R_work             239 
_refine_ls_shell.percent_reflns_obs               70.6700 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free                  0.3290 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.3360 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   5 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
# 
_struct.entry_id                     4ZNN 
_struct.title                        
;MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
;
_struct.pdbx_descriptor              Alpha-synuclein 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               ? 
# 
_struct_keywords.entry_id        4ZNN 
_struct_keywords.text            
;Amyloid, alpha-synuclein, Parkinson's Disease, Toxic Core, NACore, LIPID BINDING PROTEIN
;
_struct_keywords.pdbx_keywords   'LIPID BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_atom_sites.entry_id                    4ZNN 
_atom_sites.fract_transf_matrix[1][1]   0.055772 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.004219 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.212314 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.030362 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1  N N   . GLY A 1 1  ? -6.815 -0.668 1.607  1.00 19.60 ? ? ? ? ? ? 47  GLY A N   1 
ATOM   2  C CA  . GLY A 1 1  ? -5.714 0.002  2.373  1.00 18.55 ? ? ? ? ? ? 47  GLY A CA  1 
ATOM   3  C C   . GLY A 1 1  ? -4.357 -0.673 2.588  1.00 15.73 ? ? ? ? ? ? 47  GLY A C   1 
ATOM   4  O O   . GLY A 1 1  ? -4.212 -1.870 2.492  1.00 15.28 ? ? ? ? ? ? 47  GLY A O   1 
ATOM   5  N N   . VAL A 1 2  ? -3.381 0.125  2.953  1.00 16.06 ? ? ? ? ? ? 48  VAL A N   1 
ATOM   6  C CA  . VAL A 1 2  ? -2.062 -0.390 3.274  1.00 17.19 ? ? ? ? ? ? 48  VAL A CA  1 
ATOM   7  C C   . VAL A 1 2  ? -1.636 0.175  4.600  1.00 15.56 ? ? ? ? ? ? 48  VAL A C   1 
ATOM   8  O O   . VAL A 1 2  ? -1.744 1.356  4.862  1.00 16.09 ? ? ? ? ? ? 48  VAL A O   1 
ATOM   9  C CB  . VAL A 1 2  ? -0.993 -0.045 2.197  1.00 16.98 ? ? ? ? ? ? 48  VAL A CB  1 
ATOM   10 C CG1 . VAL A 1 2  ? 0.390  -0.488 2.640  1.00 18.97 ? ? ? ? ? ? 48  VAL A CG1 1 
ATOM   11 C CG2 . VAL A 1 2  ? -1.378 -0.662 0.897  1.00 21.79 ? ? ? ? ? ? 48  VAL A CG2 1 
ATOM   12 N N   . VAL A 1 3  ? -1.095 -0.700 5.415  1.00 16.25 ? ? ? ? ? ? 49  VAL A N   1 
ATOM   13 C CA  . VAL A 1 3  ? -0.572 -0.311 6.669  1.00 17.10 ? ? ? ? ? ? 49  VAL A CA  1 
ATOM   14 C C   . VAL A 1 3  ? 0.840  -0.854 6.792  1.00 13.92 ? ? ? ? ? ? 49  VAL A C   1 
ATOM   15 O O   . VAL A 1 3  ? 1.027  -2.022 6.720  1.00 14.77 ? ? ? ? ? ? 49  VAL A O   1 
ATOM   16 C CB  . VAL A 1 3  ? -1.411 -0.913 7.797  1.00 18.21 ? ? ? ? ? ? 49  VAL A CB  1 
ATOM   17 C CG1 . VAL A 1 3  ? -0.727 -0.645 9.123  1.00 24.67 ? ? ? ? ? ? 49  VAL A CG1 1 
ATOM   18 C CG2 . VAL A 1 3  ? -2.800 -0.349 7.789  1.00 21.98 ? ? ? ? ? ? 49  VAL A CG2 1 
ATOM   19 N N   . HIS A 1 4  ? 1.810  0.002  7.023  1.00 14.97 ? ? ? ? ? ? 50  HIS A N   1 
ATOM   20 C CA  . HIS A 1 4  ? 3.191  -0.429 7.101  1.00 14.81 ? ? ? ? ? ? 50  HIS A CA  1 
ATOM   21 C C   . HIS A 1 4  ? 3.911  0.258  8.229  1.00 12.78 ? ? ? ? ? ? 50  HIS A C   1 
ATOM   22 O O   . HIS A 1 4  ? 4.064  1.478  8.228  1.00 14.27 ? ? ? ? ? ? 50  HIS A O   1 
ATOM   23 C CB  . HIS A 1 4  ? 3.871  -0.103 5.748  1.00 17.54 ? ? ? ? ? ? 50  HIS A CB  1 
ATOM   24 C CG  . HIS A 1 4  ? 5.247  -0.643 5.581  1.00 20.10 ? ? ? ? ? ? 50  HIS A CG  1 
ATOM   25 N ND1 . HIS A 1 4  ? 5.861  -0.689 4.353  1.00 31.24 ? ? ? ? ? ? 50  HIS A ND1 1 
ATOM   26 C CD2 . HIS A 1 4  ? 6.108  -1.197 6.448  1.00 23.34 ? ? ? ? ? ? 50  HIS A CD2 1 
ATOM   27 C CE1 . HIS A 1 4  ? 7.059  -1.227 4.482  1.00 31.67 ? ? ? ? ? ? 50  HIS A CE1 1 
ATOM   28 N NE2 . HIS A 1 4  ? 7.239  -1.523 5.751  1.00 27.12 ? ? ? ? ? ? 50  HIS A NE2 1 
ATOM   29 N N   . GLY A 1 5  ? 4.364  -0.527 9.189  1.00 13.20 ? ? ? ? ? ? 51  GLY A N   1 
ATOM   30 C CA  . GLY A 1 5  ? 5.067  0.020  10.326 1.00 11.38 ? ? ? ? ? ? 51  GLY A CA  1 
ATOM   31 C C   . GLY A 1 5  ? 4.271  0.817  11.296 1.00 11.23 ? ? ? ? ? ? 51  GLY A C   1 
ATOM   32 O O   . GLY A 1 5  ? 4.359  2.033  11.367 1.00 14.14 ? ? ? ? ? ? 51  GLY A O   1 
ATOM   33 N N   . VAL A 1 6  ? 3.492  0.104  12.073 1.00 13.14 ? ? ? ? ? ? 52  VAL A N   1 
ATOM   34 C CA  . VAL A 1 6  ? 2.585  0.677  13.085 1.00 12.89 ? ? ? ? ? ? 52  VAL A CA  1 
ATOM   35 C C   . VAL A 1 6  ? 3.006  0.047  14.361 1.00 12.85 ? ? ? ? ? ? 52  VAL A C   1 
ATOM   36 O O   . VAL A 1 6  ? 2.958  -1.169 14.515 1.00 14.15 ? ? ? ? ? ? 52  VAL A O   1 
ATOM   37 C CB  . VAL A 1 6  ? 1.127  0.330  12.827 1.00 15.29 ? ? ? ? ? ? 52  VAL A CB  1 
ATOM   38 C CG1 . VAL A 1 6  ? 0.248  0.675  14.038 1.00 16.63 ? ? ? ? ? ? 52  VAL A CG1 1 
ATOM   39 C CG2 . VAL A 1 6  ? 0.674  1.047  11.596 1.00 16.11 ? ? ? ? ? ? 52  VAL A CG2 1 
ATOM   40 N N   . THR A 1 7  ? 3.481  0.887  15.262 1.00 14.70 ? ? ? ? ? ? 53  THR A N   1 
ATOM   41 C CA  . THR A 1 7  ? 4.163  0.392  16.442 1.00 16.60 ? ? ? ? ? ? 53  THR A CA  1 
ATOM   42 C C   . THR A 1 7  ? 3.424  0.965  17.631 1.00 12.84 ? ? ? ? ? ? 53  THR A C   1 
ATOM   43 O O   . THR A 1 7  ? 3.136  2.110  17.612 1.00 13.55 ? ? ? ? ? ? 53  THR A O   1 
ATOM   44 C CB  . THR A 1 7  ? 5.688  0.750  16.389 1.00 19.42 ? ? ? ? ? ? 53  THR A CB  1 
ATOM   45 O OG1 . THR A 1 7  ? 6.264  0.130  15.236 1.00 17.84 ? ? ? ? ? ? 53  THR A OG1 1 
ATOM   46 C CG2 . THR A 1 7  ? 6.420  0.210  17.569 1.00 22.98 ? ? ? ? ? ? 53  THR A CG2 1 
ATOM   47 N N   . THR A 1 8  ? 3.173  0.129  18.647 1.00 13.49 ? ? ? ? ? ? 54  THR A N   1 
ATOM   48 C CA  . THR A 1 8  ? 2.559  0.516  19.903 1.00 12.98 ? ? ? ? ? ? 54  THR A CA  1 
ATOM   49 C C   . THR A 1 8  ? 3.350  -0.122 21.014 1.00 12.94 ? ? ? ? ? ? 54  THR A C   1 
ATOM   50 O O   . THR A 1 8  ? 3.366  -1.339 21.140 1.00 17.14 ? ? ? ? ? ? 54  THR A O   1 
ATOM   51 C CB  . THR A 1 8  ? 1.138  -0.021 19.983 1.00 18.49 ? ? ? ? ? ? 54  THR A CB  1 
ATOM   52 O OG1 . THR A 1 8  ? 0.393  0.394  18.824 1.00 23.95 ? ? ? ? ? ? 54  THR A OG1 1 
ATOM   53 C CG2 . THR A 1 8  ? 0.486  0.501  21.167 1.00 24.15 ? ? ? ? ? ? 54  THR A CG2 1 
ATOM   54 N N   . VAL A 1 9  ? 4.067  0.688  21.768 1.00 13.39 ? ? ? ? ? ? 55  VAL A N   1 
ATOM   55 C CA  . VAL A 1 9  ? 4.888  0.205  22.851 1.00 13.49 ? ? ? ? ? ? 55  VAL A CA  1 
ATOM   56 C C   . VAL A 1 9  ? 4.350  0.769  24.174 1.00 14.87 ? ? ? ? ? ? 55  VAL A C   1 
ATOM   57 O O   . VAL A 1 9  ? 4.161  1.981  24.269 1.00 12.81 ? ? ? ? ? ? 55  VAL A O   1 
ATOM   58 C CB  . VAL A 1 9  ? 6.362  0.614  22.652 1.00 15.66 ? ? ? ? ? ? 55  VAL A CB  1 
ATOM   59 C CG1 . VAL A 1 9  ? 7.152  0.297  23.874 1.00 17.11 ? ? ? ? ? ? 55  VAL A CG1 1 
ATOM   60 C CG2 . VAL A 1 9  ? 6.953  -0.121 21.455 1.00 18.23 ? ? ? ? ? ? 55  VAL A CG2 1 
ATOM   61 N N   . ALA A 1 10 ? 4.065  -0.120 25.151 1.00 15.89 ? ? ? ? ? ? 56  ALA A N   1 
ATOM   62 C CA  . ALA A 1 10 ? 3.720  0.313  26.515 1.00 22.36 ? ? ? ? ? ? 56  ALA A CA  1 
ATOM   63 C C   . ALA A 1 10 ? 4.941  0.140  27.420 1.00 30.33 ? ? ? ? ? ? 56  ALA A C   1 
ATOM   64 O O   . ALA A 1 10 ? 5.714  -0.809 27.287 1.00 50.34 ? ? ? ? ? ? 56  ALA A O   1 
ATOM   65 C CB  . ALA A 1 10 ? 2.499  -0.422 27.062 1.00 18.64 ? ? ? ? ? ? 56  ALA A CB  1 
ATOM   66 O OXT . ALA A 1 10 ? 5.250  0.955  28.294 1.00 45.80 ? ? ? ? ? ? 56  ALA A OXT 1 
HETATM 67 O O   . HOH B 2 .  ? 5.798  2.348  13.663 1.00 16.49 ? ? ? ? ? ? 101 HOH A O   1 
HETATM 68 O O   . HOH B 2 .  ? 0.282  -1.835 17.069 1.00 19.45 ? ? ? ? ? ? 102 HOH A O   1 
HETATM 69 O O   . HOH B 2 .  ? 3.490  -2.329 2.715  1.00 23.99 ? ? ? ? ? ? 103 HOH A O   1 
HETATM 70 O O   . HOH B 2 .  ? 4.229  0.250  1.542  1.00 38.40 ? ? ? ? ? ? 104 HOH A O   1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  47 47 GLY GLY A . n 
A 1 2  VAL 2  48 48 VAL VAL A . n 
A 1 3  VAL 3  49 49 VAL VAL A . n 
A 1 4  HIS 4  50 50 HIS HIS A . n 
A 1 5  GLY 5  51 51 GLY GLY A . n 
A 1 6  VAL 6  52 52 VAL VAL A . n 
A 1 7  THR 7  53 53 THR THR A . n 
A 1 8  THR 8  54 54 THR THR A . n 
A 1 9  VAL 9  55 55 VAL VAL A . n 
A 1 10 ALA 10 56 56 ALA ALA A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1 101 1 HOH HOH A . 
B 2 HOH 2 102 2 HOH HOH A . 
B 2 HOH 3 103 3 HOH HOH A . 
B 2 HOH 4 104 4 HOH HOH A . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   decameric 
_pdbx_struct_assembly.oligomeric_count     10 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1  A,B 
1 2  A,B 
1 3  A,B 
1 4  A,B 
1 5  A,B 
1 6  A,B 
1 7  A,B 
1 8  A,B 
1 9  A,B 
1 10 A,B 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1  'identity operation'         1_555 x,y,z         1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2  'crystal symmetry operation' 1_565 x,y+1,z       1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 4.7100000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000  
3  'crystal symmetry operation' 1_575 x,y+2,z       1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 9.4200000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000  
4  'crystal symmetry operation' 1_585 x,y+3,z       1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 14.1300000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000  
5  'crystal symmetry operation' 1_595 x,y+4,z       1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 18.8400000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000  
6  'crystal symmetry operation' 2_556 -x,y+1/2,-z+1 -1.0000000000 0.0000000000 0.0000000000 -2.4937927927 0.0000000000 
1.0000000000 0.0000000000 2.3550000000  0.0000000000 0.0000000000 -1.0000000000 32.9357237283 
7  'crystal symmetry operation' 2_566 -x,y+3/2,-z+1 -1.0000000000 0.0000000000 0.0000000000 -2.4937927927 0.0000000000 
1.0000000000 0.0000000000 7.0650000000  0.0000000000 0.0000000000 -1.0000000000 32.9357237283 
8  'crystal symmetry operation' 2_576 -x,y+5/2,-z+1 -1.0000000000 0.0000000000 0.0000000000 -2.4937927927 0.0000000000 
1.0000000000 0.0000000000 11.7750000000 0.0000000000 0.0000000000 -1.0000000000 32.9357237283 
9  'crystal symmetry operation' 2_586 -x,y+7/2,-z+1 -1.0000000000 0.0000000000 0.0000000000 -2.4937927927 0.0000000000 
1.0000000000 0.0000000000 16.4850000000 0.0000000000 0.0000000000 -1.0000000000 32.9357237283 
10 'crystal symmetry operation' 2_596 -x,y+9/2,-z+1 -1.0000000000 0.0000000000 0.0000000000 -2.4937927927 0.0000000000 
1.0000000000 0.0000000000 21.1950000000 0.0000000000 0.0000000000 -1.0000000000 32.9357237283 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
4ZNN 2015-09-09 4 0000 'Initial release'     'Initial release'         
4ZNN 2015-09-23 4 0001 Citation              Citation                  
4ZNN 2015-10-07 4 0002 Citation              Citation                  
4ZNN 2016-11-30 4 0003 'Experimental method' 'Correct data collection' 
# 
_pdbx_phasing_MR.entry_id                     4ZNN 
_pdbx_phasing_MR.method_rotation              ? 
_pdbx_phasing_MR.method_translation           ? 
_pdbx_phasing_MR.model_details                'Phaser MODE: MR_AUTO' 
_pdbx_phasing_MR.R_factor                     ? 
_pdbx_phasing_MR.R_rigid_body                 ? 
_pdbx_phasing_MR.correlation_coeff_Fo_to_Fc   ? 
_pdbx_phasing_MR.correlation_coeff_Io_to_Ic   ? 
_pdbx_phasing_MR.d_res_high_rotation          ? 
_pdbx_phasing_MR.d_res_low_rotation           ? 
_pdbx_phasing_MR.d_res_high_translation       ? 
_pdbx_phasing_MR.d_res_low_translation        ? 
_pdbx_phasing_MR.packing                      ? 
_pdbx_phasing_MR.reflns_percent_rotation      ? 
_pdbx_phasing_MR.reflns_percent_translation   ? 
_pdbx_phasing_MR.sigma_F_rotation             ? 
_pdbx_phasing_MR.sigma_F_translation          ? 
_pdbx_phasing_MR.sigma_I_rotation             ? 
_pdbx_phasing_MR.sigma_I_translation          ? 
# 
_phasing.method   MR 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? XSCALE      ? ? ? .     1 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? 2.5.6 2 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC      ? ? ? .     3 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15  4 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .     5 
? 'model building'  ? ? ? ? ? ? ? ? ? ? ? Coot        ? ? ? .     6 
# 
_em_assembly.id                  1 
_em_assembly.entry_id            4ZNN 
_em_assembly.aggregation_state   ? 
_em_assembly.name                ? 
_em_assembly.details             ? 
# 
_em_detector.id         1 
_em_detector.entry_id   4ZNN 
_em_detector.type       'TVIPS F416 CMOS CAMERA by TIETZ' 
_em_detector.details    ? 
# 
_em_entity_assembly.assembly_id          1 
_em_entity_assembly.details              ? 
_em_entity_assembly.go_id                ? 
_em_entity_assembly.id                   1 
_em_entity_assembly.ipr_id               ? 
_em_entity_assembly.name                 'Human alpha-synuclein' 
_em_entity_assembly.number_of_copies     ? 
_em_entity_assembly.oligomeric_details   ? 
_em_entity_assembly.synonym              ? 
_em_entity_assembly.type                 COMPLEX 
# 
_em_image_scans.entry_id                4ZNN 
_em_image_scans.id                      1 
_em_image_scans.number_digital_images   ? 
_em_image_scans.details                 ? 
_em_image_scans.sampling_size           ? 
_em_image_scans.scanner_model           ? 
_em_image_scans.citation_id             ? 
_em_image_scans.od_range                ? 
_em_image_scans.quant_bit_size          ? 
# 
_em_imaging.id                              1 
_em_imaging.entry_id                        4ZNN 
_em_imaging.microscope_model                'FEI TECNAI F20' 
_em_imaging.sample_support_id               1 
_em_imaging.detector_id                     1 
_em_imaging.scans_id                        1 
_em_imaging.date                            ? 
_em_imaging.temperature                     ? 
_em_imaging.nominal_defocus_min             ? 
_em_imaging.nominal_defocus_max             ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_cs                      ? 
_em_imaging.mode                            DIFFRACTION 
_em_imaging.electron_dose                   ? 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.accelerating_voltage            200 
_em_imaging.details                         ? 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           ? 
_em_imaging.recording_temperature_maximum   ? 
_em_imaging.recording_temperature_minimum   ? 
_em_imaging.citation_id                     ? 
_em_imaging.astigmatism                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.energy_filter                   ? 
_em_imaging.energy_window                   ? 
# 
_em_sample_support.id               1 
_em_sample_support.method           ? 
_em_sample_support.film_material    ? 
_em_sample_support.grid_material    ? 
_em_sample_support.grid_mesh_size   ? 
_em_sample_support.grid_type        ? 
_em_sample_support.details          ? 
# 
_em_experiment.entry_id                4ZNN 
_em_experiment.reconstruction_method   CRYSTALLOGRAPHY 
_em_experiment.specimen_type           ? 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health' 'United States' 1R01-AG029430 1 
'National Institutes of Health' 'United States' NIH-016570    2 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
