Experiment: 1UQV

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	HSQC	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
2	15N-SEPARATED NOESY	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
3	HNCA	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
4	HN(CO)CA	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
5	CBCA(CO)NH	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
6	HNCACB	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
7	H(CC)(CO)NH	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
8	(H)CC(CO)NH	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
9	HCCH-TOCSY	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308
10	13C-SEPARATED NOESY	16NM NA2HPO4, 4MM NAH2PO4, 50MM NACL, 5MM DTT, 10% D2O, 0.05% NAN3		260 mM	6.0	1 atm	308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	800

NMR Refinement
Method	Details	Software
torsion angle dynamics	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.	CNS

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGY
Conformers Calculated Total Number	100
Conformers Submitted Total Number	25
Representative Model	15 (n/a)

Additional NMR Experimental Information
Details	THE STRUCURE WAS DETERMINED USING 15N-LABELLED AND 13C,15N-LABELLED PROTEINS

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS	1.0	BRUNGER
2	structure solution	ANSIG
3	structure solution	CNS
4	structure solution	ARIA

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.