1A6S | pdb_00001a6s

M-DOMAIN FROM GAG POLYPROTEIN OF ROUS SARCOMA VIRUS, NMR, 20 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	1H-15N)HSQC	H20		100 mM	6.0	1 atm	308
2	(1H-13C)HSQC	H20		100 mM	6.0	1 atm	308
3	HSQC-J	H20		100 mM	6.0	1 atm	308
4	2D AND 3D 15N-NOESY-HMQC AND TOCSY-HMQC	H20		100 mM	6.0	1 atm	308
5	13C-NOESY-HMQC	H20		100 mM	6.0	1 atm	308
6	HCCH-TOCSY	H20		100 mM	6.0	1 atm	308
7	HNCA	H20		100 mM	6.0	1 atm	308
8	HN(CO)CA	H20		100 mM	6.0	1 atm	308
9	CBCANH	H20		100 mM	6.0	1 atm	308
10	CBCA(CO)NH	H20		100 mM	6.0	1 atm	308
11	(1H)15N-NOE	H20		100 mM	6.0	1 atm	308
12	H2O-SELECTIVE 15N-EDITED NOESY AND ROESY	H20		100 mM	6.0	1 atm	308
13	HYDROGEN-DEUTERIUM EXCHANGE	H20		100 mM	6.0	1 atm	308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX500	500

NMR Refinement
Method	Details	Software
distance geometry	STRUCTURES WERE CALCULATED USING THE DISTANCE GEOMETRY PROGRAM DYANA. NO FURTHER REFINEMENT WAS PERFORMED. AN ANALYSIS OF THE QUALITY OF STRUCTURES PRODUCED WAS CARRIED OUT USING PROCHECK-NMR.	DYANA

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number	1000
Conformers Submitted Total Number	20

Additional NMR Experimental Information
Details	COORDINATES WERE CALCULATED FROM SOLUTION NMR DATA USING THE PROGRAM DYANA.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DYANA		GUNTERT,WUTHRICH
2	structure solution	XwinNMR
3	structure solution	XEASY
4	structure solution	DIANA
5	structure solution	DYANA
6	structure solution	THE ECEPP LIBRARY WAS USED	USED

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.