Experiment: 1K5O

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1mM 13C/15N labeled protein	D2O, pH 6.8, 50mM phosphate buffer, 100 mM KCl, 1 mM DTT, and 0.02 % NaN3	100mM KCl	6.8	1 atm	25
2	3D_15N-separated_NOESY	1mM 15N labeled protein	10% D2O, 90% H2O, pH 6.8, 50mM phosphate buffer, 100 mM KCl, 1 mM DTT, and 0.02 % NaN3	100mM KCl	6.8	1 atm	25
3	2D NOESY	1mM unlabeled protein	D2O pH 6.8, 50mM phosphate buffer, 100 mM KCl, 1 mM DTT, and 0.02 % NaN3	100mM KCl	6.8	1 atm	25

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	600
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
distance geometry simulated annealing	1121 NMR-derived distance and angle restraints	NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with acceptable covalent geometry
Conformers Calculated Total Number	50
Conformers Submitted Total Number	1
Representative Model	1 (minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe
2	structure solution	X-PLOR	3.851
3	refinement	X-PLOR	3.851

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 R01GM157729.