1WA8

Solution Structure of the CFP-10.ESAT-6 Complex. Major Virulence Determinants of Pathogenic Mycobacteria

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	90% WATER/10% D2O		100 mM	6.5	1 atm	308.0
2	TOCSY	90% WATER/10% D2O		100 mM	6.5	1 atm	308.0

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

NMR Refinement
Method	Details	Software
CANDID	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.	CYANA

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number	100
Conformers Submitted Total Number	28
Representative Model	9 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED CFP-10 AND ESAT-6.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		GUNTERT,MUMENTHALER,WUTHRICH
2	structure solution	XEASY

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 R01GM133198.