Experiment: 6OBK

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H COSY	20 mM potassium phosphate, 50 mM potassium chloride	90% H2O/10% D2O	50 KCl mM	6.3	1 atm	303	Varian INOVA 600
2	2D 1H-1H TOCSY	20 mM potassium phosphate, 50 mM potassium chloride	90% H2O/10% D2O	50 KCl mM	6.3	1 atm	303	Varian INOVA 600
3	2D 1H-1H NOESY	20 mM potassium phosphate, 50 mM potassium chloride	90% H2O/10% D2O	50 KCl mM	6.3	1 atm	303	Varian INOVA 600
4	2D 1H-15N HSQC	20 mM potassium phosphate, 50 mM potassium chloride	90% H2O/10% D2O	50 KCl mM	6.3	1 atm	303	Varian INOVA 600
5	2D 1H-13C HSQC	20 mM potassium phosphate, 50 mM potassium chloride	90% H2O/10% D2O	50 KCl mM	6.3	1 atm	303	Varian INOVA 600

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
2	structure calculation	CYANA	3.97	Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	NMRView		Johnson, One Moon Scientific
4	peak picking	NMRView		Johnson, One Moon Scientific
5	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
6	data analysis	TALOS		Cornilescu, Delaglio and Bax

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.