Experiment: 1VYX

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
2	TOCSY	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
3	DQF-COSY	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
4	HNCACB	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
5	CBCACONH	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
6	HNCO	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
7	HNCACO	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
8	13C-HSQC	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0
9	HNHB	50 MM POTASSIUM PHOSPHATE (PH 6.0), CONTAINING 50 MM NACL		100.0 mM	6.0	ambient atm	298.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	800

NMR Refinement
Method	Details	Software
XPLOR3.8	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	NO VIOLATIONS GREATER THAN 0.25A, NO ANGLE VIOLATIONS
Conformers Calculated Total Number	30
Conformers Submitted Total Number	28
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING STANDAR TRIPLE- RESONANCE METHODS ON 13C-15N-LABELLED K3-RING DOMAIN

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR		BRUNGER
2	structure solution	XWIN-NMR
3	structure solution	ANSIG
4	structure solution	XPLOR3.8

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.