1X02 | pdb_00001x02

Solution structure of stereo array isotope labeled (SAIL) calmodulin

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.7mM SAIL calmodulin, 5mM MES-d13, 10mM bis-Tris-d19, 5mM CaCl2, 0.1mM NaN3	90% H2O/10% D2O		6.5	AMBIENT	310
2	3D_15N-separated_NOESY	0.7mM SAIL calmodulin, 5mM MES-d13, 10mM bis-Tris-d19, 5mM CaCl2, 0.1mM NaN3	90% H2O/10% D2O		6.5	AMBIENT	310

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA	2.0.17	P.GUNTERT ET AL.
2	structure solution	CYANA	2.0.17	P.GUNTERT ET AL.
3	data analysis	Sparky	3.110	T.D.GODDARD, D.G.KNELLER

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.