Experiment: 1WTT

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	WATER		50 mM NACL	6.5	1 atm	303
2	COSY	WATER		50 mM NACL	6.5	1 atm	303
3	1H-31P HCOSY	WATER		50 mM NACL	6.5	1 atm	303
4	1H-31P HTOCSY	WATER		50 mM NACL	6.5	1 atm	303
5	1H-31P HTOCSY-NOESY	WATER		50 mM NACL	6.5	1 atm	303
6	1H-13C HMQC	WATER		50 mM NACL	6.5	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY 500	500
2	GE	UNITYPLUS 600	600
3	GE	OMEGA 500	600

NMR Refinement
Method	Details	Software
TORSIONAL ANGLE MOLECULAR DYNAMICS, MOLECULAR DYNAMICS		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	NO RESTRAINT VIOLATION
Conformers Calculated Total Number	40
Conformers Submitted Total Number	11
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	SEE PDB ENTRY 1WTS FOR THE REPRESENTATIVE MODEL.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR		BRUNGER
2	structure solution	X-PLOR

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.