Experiment: 2KHC

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-13C NOESY	1 mM [U-100% 13C; U-100% 15N] 1,0 mM Bruno RRM3+, 1 mM potassium phosphate, 300-400 mM sodium chloride	90% H2O/10% D2O	260	6	ambient	298
2	3D 1H-15N NOESY	1 mM [U-100% 13C; U-100% 15N] 1,0 mM Bruno RRM3+, 1 mM potassium phosphate, 300-400 mM sodium chloride	90% H2O/10% D2O	260	6	ambient	298
3	2D 1H-1H NOESY	1 mM [U-100% 13C; U-100% 15N] 1,0 mM Bruno RRM3+, 1 mM potassium phosphate, 300-400 mM sodium chloride	90% H2O/10% D2O	260	6	ambient	298

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

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	simulated annealing	CNS	1.1.	Brunger, Adams, Clore, Gros, Nilges and Read

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.