Experiment: 2JV6

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
2	2D 1H-13C HSQC	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
3	3D CBCA(CO)NH	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
4	3D C(CO)NH	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
5	3D HNCACB	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
6	3D HCCH-TOCSY	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
7	3D 1H-15N NOESY	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298
8	3D 1H-13C NOESY	0.2 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium chloride	90% H2O/10% D2O	0.05	5.8	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	750
2	Varian	UNITYPLUS	600

NMR Refinement
Method	Details	Software
molecular dynamics, DGSA-distance geometry simulated annealing		Amber

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber	6	Case, D.A. et al.

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.