BMRB Entry 18526

Assembly:

Entities:

Entity 1, HR3504C 165 residues - 19577.119 Da.

Entity 2, Zinc ion - Zn - 65.409 Da.

Samples:

sample_NC: hr3504c.023, [U-100% 13C; U-100% 15N], 0.614 mM; DSS 50 uM; DTT 10 mM; ZnSO4 50 uM; NaN3 0.02%; NaCL 100 mM; MES pH 6.5 20 mM; Proteinase Inhibitors 1 X; D2O 10%; H2O 90%

sample_NC5: hr3504c.025, [U-5% 13C; U-100% 15N], 0.828 mM; DSS 50 uM; DTT 10 mM; ZnSO4 50 uM; NaN3 0.02%; NaCL 100 mM; MES pH 6.5 20 mM; Proteinase Inhibitors 1 X; D2O 10%; H2O 90%

sample_NC5_RDC: hr3504c.027, [U-5% 13C; U-100% 15N], 0.52 mM; DSS 50 uM; DTT 10 mM; ZnSO4 50 uM; NaN3 0.02%; NaCL 100 mM; MES pH 6.5 20 mM; Proteinase Inhibitors 1 X; D2O 10%; H2O 90%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY, Bartels et al. - data analysis,peak picking,chemical shift assignment

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

SPARKY, Goddard - data analysis

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

REDCAT, Valafar, Prestegard - geometry optimization

PSVS, Bhattacharya, Montelione - structure validation

NMR spectrometers:

• Bruker Avance 800 MHz
• Varian INOVA 600 MHz
• Varian INOVA 600 MHz