2K7Y

Solution fold of HIV-1 Virus protein U cytoplasmic domain in the presence of DPC micelles

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
2	2D 1H-13C HSQC	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
3	3D C(CO)NH	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
4	3D HNCACB	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
5	3D HN(CO)CA	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
6	3D 1H-15N NOESY	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
7	3D 1H-13C NOESY	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
8	3D HNHA	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
9	3D HCCH-COSY	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303
10	3D HCCH-TOCSY	1 mM [U-100% 13C; U-100% 15N] VpUcyt, 100 mM [U-100% 2H] DPC, 100 mM sodium chloride, 20 mM sodium phosphate, 0.02 w/v sodium azide	90% H2O/10% D2O	100	6.2	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
torsion angle dynamics		CARA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	data analysis	CARA	1.8.4a.5	Keller and Wuthrich
2	processing	CARA	1.8.4a.5	Keller and Wuthrich
3	data analysis	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
5	refinement	RADAR		Herrmann, Guntert, Wuthrich

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.