Experiment: 2LJM

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	DQFCOSY	1.3 mM CssII rec, 90% H2O, 10% D2O	90% H2O/10% D2O		3.5	ambient	308
2	TOCSY	1.3 mM CssII rec, 90% H2O, 10% D2O	90% H2O/10% D2O		3.5	ambient	308
3	NOESY	1.3 mM CssII rec, 90% H2O, 10% D2O	90% H2O/10% D2O		3.5	ambient	308

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

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	20 structures for lowest energy and no violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (no violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert P.

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.