BMRB Entry 17039

Assembly:

Entities:

Entity 1, MvR254A 114 residues - 12299.430 Da.

Residue 2 corresponds with residue 272 of the predicted protein

Samples:

sample_1: MvR254A, [U-100% 13C; U-100% 15N], 1.1 mM; NaCl 100 mM; MES 20 mM; CaCl2 5 mM; NaN3 0.05%; H2O 95%; D2O 5%

sample_2: MvR254A, [U-100% 13C; U-100% 15N], 1.1 mM; NaCl 100 mM; MES 20 mM; CaCl2 5 mM; NaN3 0.05%; D2O 100%

sample_3: MvR254A, [5% biosynthetically-directed 13C; U-100% 15N], 1.1 mM; NaCl 100 mM; MES 20 mM; CaCl2 5 mM; NaN3 0.05%; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Software:

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

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

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

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

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

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

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis

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

PALES, PALES (Zweckstetter, Bax) - geometry optimization

REDCAT, Valafar, Prestegard - geometry optimization

NMR spectrometers:

• Varian INOVA 750 MHz
• Varian INOVA 600 MHz