Experiment: 1LKJ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1.0-1.4mM Yeast Calmudulin U-15N,13C; 50mM KCl	99.99% D2O	50mM KCl	7.0	ambient	303
2	4D_13C-separated_NOESY	1.0-1.4mM Yeast Calmudulin U-15N,13C; 50mM KCl	99.99% D2O	50mM KCl	7.0	ambient	303
3	3D_15N-separated_NOESY	1.0-1.4mM Yeast Calmudulin U-15N; 50mM KCl	90% H2O/10% D2O	50mM KCl	7.0	ambient	303
4	HNHA	1.0-1.4mM Yeast Calmudulin U-15N; 50mM KCl	90% H2O/10% D2O	50mM KCl	7.0	ambient	303
5	2D NOESY	1.0-1.4mM Yeast Calmodulin; 50mM KCl	99.99% D2O	50mM KCl	7.0	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	JEOL	A	600
2	Varian	UNITY	500

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	31
Representative Model	1 (fewest violations)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR	3.851	Brunger, A. T.
2	refinement	X-PLOR	3.851	Brunger, A. T.

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.