Experiment: 7L83

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-13C NOESY aliphatic	1 mM [U-13C; U-15N] Nav1.5 DIV S3bS4a motif	90% H2O/10% D2O	10 Nacl, 10 potassium phosphate mM	7	1 atm	310	Bruker AVANCE 800
2	3D HNCACB	0.5 mM [U-13C; U-15N] Nav1.5 DIV S3bS4a motif	90% H2O/10% D2O	10 Nacl, 10 potassium phosphate mM	7	1 atm	310	Bruker AVANCE 800
3	3D 1H-15N NOESY	0.5 mM [U-13C; U-15N] Nav1.5 DIV S3bS4a motif	90% H2O/10% D2O	10 Nacl, 10 potassium phosphate mM	7	1 atm	310	Bruker AVANCE 800
4	3D HCCH-TOCSY	1 mM [U-13C; U-15N] Nav1.5 DIV S3bS4a motif	90% H2O/10% D2O	10 Nacl, 10 potassium phosphate mM	7	1 atm	310	Bruker AVANCE 800
5	3D HNCA	0.5 mM [U-13C; U-15N] Nav1.5 DIV S3bS4a motif	90% H2O/10% D2O	10 Nacl, 10 potassium phosphate mM	7	1 atm	310	Bruker AVANCE 900

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800
2	Bruker	AVANCE	900

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (medoid)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger A. T. et.al.
2	structure calculation	ARIA		Linge, O'Donoghue and Nilges
3	chemical shift assignment	CcpNmr Analysis		CCPN
4	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
5	processing	TopSpin		Bruker Biospin

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.