BMRB Entry 17670

Assembly:

Entities:

Entity 1, AaR96 172 residues - 19625.873 Da.

Residues 1-164 correspond to the range 2-165 in the native protein. Residues 165-172 represent a non-native affinity tag.

Samples:

NC: AaR96, [U-100% 13C; U-100% 15N], 0.6 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

NC5: AaR96, [5% 13C; U-100% 15N], 1.7 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

NC5_PEG: AaR96, [5% 13C; U-100% 15N], 1.2 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.02%; C12E5 PEG 4%; hexanol 1.3%; H2O 80%; D2O 20%

NC5_Phage: AaR96, [5% 13C; U-100% 15N], 1.1 mM; MES 13 mM; sodium chloride 70 mM; calcium chloride 3 mM; DTT 10 mM; DSS 33 uM; sodium azide 0.02%; Pf1 phage 12.5 g/l; H2O 80%; D2O 20%

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

Experiments:

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement,structure solution,geometry optimization

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

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

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

XEASY v1.3.13, Bartels et al. - data analysis

TOPSPIN v2.1, Bruker Biospin - collection, processing

VNMRJ v2.2D, Varian - collection

TALOS+ v1.2009.0721.18, Shen, Cornilescu, Delaglio and Bax - geometry optimization

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

PROSA v6.4, Guntert - processing

NMR spectrometers:

• Bruker Avance 900 MHz
• Varian INOVA 600 MHz
• Varian INOVA 750 MHz
• Varian INOVA 600 MHz
• Bruker Avance 700 MHz