1AX3 | pdb_00001ax3

SOLUTION NMR STRUCTURE OF B. SUBTILIS IIAGLC, 16 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY				6.87		308
2	DQF-COSY				6.87		308
3	TOCSY				6.87		308
4	HMQC-J				6.87		308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX500	500
2	Bruker	AMX600	600

NMR Refinement
Method	Details	Software
DISTANCE GEOMETRY AND MOLECULAR DYNAMICS	REFINEMENT DETAILS CAN BE FOUND IN THE PAPER.	Amber

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION AND LOWEST AMBER ENERGY
Conformers Calculated Total Number	100
Conformers Submitted Total Number	16

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber		PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN
2	structure solution	DISGEO
3	structure solution	Amber

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.