2A9H | pdb_00002a9h

NMR structural studies of a potassium channel / charybdotoxin complex

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 13C-edited NOESY	1 mM KcsA, 2H and selectively 13C-methyl labeled in 20 mM sodium phosphate (pH 7.5), 5 mM KCl, 1 mM DTT, and 80 mM foscholine-12	90% H2O/10% D2O or 100% D2O		7.5	ambient	315
2	3D-filtered NOESY	1 mM KcsA, 2H and selectively 13C-methyl labeled in 20 mM sodium phosphate (pH 7.5), 5 mM KCl, 1 mM DTT, and 80 mM foscholine-12	90% H2O/10% D2O or 100% D2O		7.5	ambient	315

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

NMR Refinement
Method	Details	Software
molecular SIMULATED ANNEALING / dynamics / docking		CNS

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	1
Representative Model	(minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS	2002	Brunger
2	refinement	CNS	2002	Brunger

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.