Experiment: 1K3J

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.5 mM protein U-15N,13C; 10 mM sodium phosphate buffer (pH 6.5), 1 mM DTT, and 1 mM EDTA; 90% H2O, 10% D2O	90% H2O/10% D2O	10 mM sodium phosphate, 1mM DTT, and 1 mM EDTA	6.5	ambient	293

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

NMR Refinement
Method	Details	Software
The structures are based on a total of 2377 restraints. Among them, 2107 are NOE-derived distance constraints, 192 TALOS-derived dihedral angle restraints, and 78 restraints from hydrogen bonds.		XwinNMR

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	20

Additional NMR Experimental Information
Details	The structure was refined by adding 221 NOE-derived distance constraints and by revising a few previous NOE assignments.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	processing	XwinNMR	2.6	Bruker
3	structure solution	CNS	1.0	Brunger et al.
4	refinement	CNS	1.0	Brunger 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.