2JYL

Solution Structure of A Double Mutant of The Carboxy-terminal Dimerization Domain of The HIV-1 Capsid Protein

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
2	3D HNCA	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
3	3D HNCACB	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
4	3D CBCA(CO)NH	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
5	3D HNCO	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
6	3D HCCH-TOCSY	1 mM [U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
7	3D HNHA	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
8	15N-HSQC-NOESY	1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
9	13C-HSQC-NOESY	1 mM [U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303
10	HCCH-COSY	1 mM [U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O	90% H2O/10% D2O	0.05	5	ambient	303

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

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

Additional NMR Experimental Information
Details	Structural constraints included NOE, hydrogen bonds, and torsion angle constraints

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert, P. et al.

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.