BMRB Entry 25810

Assembly:

Entities:

Entity 1, entity_1 141 residues - 1702.936 Da.

MHHHHHHGGLVPRGSMDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPTPEELQEMIDEVD EDGSGTVDFDEFLVMMVR(4J4)MKDDSENLYFQGRRVRISADAMMQALLGARAKESLDLRAHLK Residues 1 to 7 are the His tag (Auth_seq_ID -15 to -9). Residues 8 to 15 are the thrombin cleavage site (Auth_seq_ID -8 to -1). Residues 16 to 104 are the N-domain of troponin C residues 1-89 (Auth_seq_ID 1 to 89). Residues 105 to 111 are the TEV cleavage site (Auth_seq_ID 90 to 96). Residues 112 to 141 are residues 144-173 of troponin I (Auth_seq_ID 97 to 126).

Entity 2, CALCIUM ION - Ca - 40.078 Da.

Samples:

sample_1: entity_1, [U-15N], 0.65 mM; entity_2, [U-15N], 0.65 mM; potassium chloride 100 mM; imidazole 10 mM; calcium chloride 2 mM; DSS, [U-99% 2H], 0.25 mM

sample_2: entity_1, [U-13C; U-15N], 0.65 mM; entity_2, [U-13C; U-15N], 0.65 mM; potassium chloride 100 mM; imidazole 10 mM; calcium chloride 2 mM; DSS, [U-99% 2H], 0.25 mM

sample_3: entity_1, [U-13C; U-15N], 0.65 mM; entity_2, [U-13C; U-15N], 0.65 mM; potassium chloride 100 mM; imidazole, [U-99% 2H], 10 mM; calcium chloride 2 mM; DSS, [U-99% 2H], 0.25 mM

sample_conditions_1: pH: 6.9; pressure: 1 atm; temperature: 273 K

Experiments:

Software:

VNMRJ, Varian - collection

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - Prediction of phi and psi dihedral angles

X-PLOR_NIH v2.35, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

PRODRG, A. W. Sch ttelkopf and D. M. F. van Aalten - Generation of topology and parameter files for non-standard aminoacid Ci9

NMR spectrometers:

• Varian INOVA 600 MHz
• Varian INOVA 800 MHz