BMRB Entry 19311

Assembly:

Entities:

Entity 1, Est3 protein 170 residues - 19297.996 Da.

Residues 1-12 were deleted from S. cerevisiae Est3 protein sequence. First serine was part of the cleaved affinity tag.

Samples:

sample_1: Est3 protein, [U-13C; U-15N; U-2H], 280 uM; Bis tris propane 50 mM; MOPS 150 mM; sodium sulfate 50 mM; arginine 100 mM; glutamate 100 mM; NDSB-195 100 mM; DTT 2 mM; D2O 7%; H2O 93%; TSP 0.15 mM

sample_2: Est3 protein, [U-15N], 140 uM; Bis tris propane 50 mM; MOPS 150 mM; sodium sulfate 50 mM; arginine 100 mM; glutamate 100 mM; NDSB-195 100 mM; DTT 2 mM; D2O 10%; H2O 90%; Pf1 phage 9.6 mg/mL

sample_3: Est3 protein, [U-15N], 140 uM; Bis tris propane 50 mM; MOPS 150 mM; sodium sulfate 50 mM; arginine 100 mM; glutamate 100 mM; NDSB-195 100 mM; DTT 2 mM; D2O 10%; H2O 90%

sample_4: Est3 protein, [U-13C; U-15N; U-2H], 280 uM; Bis tris propane 50 mM; MOPS 150 mM; sodium sulfate 50 mM; arginine 100 mM; glutamate 100 mM; NDSB-195 100 mM; DTT 2 mM; D2O 7%; H2O 93%

sample_conditions_1: pH: 7.1; pressure: 1 atm; temperature: 298 K

Experiments:

Software:

VNMRJ v3.1, Varian - collection

ANALYSIS v2.1.5, CCPN - chemical shift assignment, data analysis, peak picking

NMRPipe v2011, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - Constraints list generation for structure solution

Rosetta v3.4, David Baker - structure solution

CS-Rosetta_toolbox v1.3, David Baker - structure solution

X-PLOR NIH v2.29, Schwieters, Kuszewski, Tjandra and Clore - structure and constraints validation

NMR spectrometers:

• Varian VNMRS 800 MHz
• Agilent DD2 900 MHz