2KBI

Solution NMR structure of the C-terminal EF-hand domain of human cardiac sodium channel NaV1.5

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
2	2D 1H-13C HSQC	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
3	3D CBCA(CO)NH	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
4	3D HNCO	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
5	3D HNCACB	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
6	3D HCCH-TOCSY	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
7	3D HCCH-COSY	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
8	3D 1H-15N NOESY	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
9	3D 1H-13C NOESY	1.2 mM [U-100% 13C; U-100% 15N] entity	100% H2O		6.5	ambient	298
10	2D 1H-1H NOESY	1.2 mM entity	100% H2O		6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX	600

NMR Refinement
Method	Details	Software
molecular dynamics		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	TopSpin	2.0	Bruker Biospin
2	collection	TopSpin	2.0	Bruker Biospin
3	structure solution	CYANA	2.1	Guntert, P. et al.
4	refinement	Amber	9	Case, D. 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.