Experiment: 1NG7

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1-3 mM 3A-N U-95% 13C;U-99% 15N; 20mM phosphate buffer NA; 100% D2O	100% D2O	20 mM potassium phosphate, 50 mM NaCl	7.0	ambient	25
2	2D NOESY	1-3 mM 3A-N U-95% 13C;U-99% 15N; 20mM phosphate buffer NA; 100% D2O	100% D2O	20 mM potassium phosphate, 50 mM NaCl	7.0	ambient	25
3	3D_15N-separated_NOESY	1-3 mM 3A-N U-99% 15N; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	20 mM potassium phosphate, 50 mM NaCl	7.0	ambient	25
4	3D_15N-separated_NOESY	2 mM 3A-N U-99% 15N; 10 mM tris buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	10 mM tris, 50 mM NaCl	7.0	ambient	25
5	3D_13C-separated select/filter NOESY	1.5 mM 3A-N NA; 1.5 mM 3A-N U-95% 13C;U-99% 15N; 20mM phosphate buffer NA; 100% D2O	100% D2O	20 mM potassium phosphate, 50 mM NaCl	7.0	ambient	25
6	3D_13C-separated_NOESY	1-3 mM 3A-N U-95% 13C;U-99% 15N; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	20 mM potassium phosphate, 50 mM NaCl	7.0	ambient	25

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
distance geometry/simmulated annealing	The structures are based on a total of 866 intramonomer and 46 intermonomer NOE-derived distance constraints and 34 TALOS-derived dihedral angle restraints. The monomer structure was calculated first and then the dimer was built from random monomer starting orientations.	VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10
Representative Model	1 (closest to the average)

Additional NMR Experimental Information
Details	This structure was determined using standard 3D heteronuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1a	Varian
2	processing	NMRPipe	1.0	Delaglio
3	data analysis	ANSIG	3.3	Kraulis
4	refinement	X-PLOR	3.851	Brunger

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.