1VCS

Solution Structure of RSGI RUH-009, an N-Terminal Domain of Vti1a [Mus musculus]

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1.0mM RSGI RUH-009 U-15N, 13C; 20mM d-Tris-HCl buffer; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O	90% H2O/10% D2O	100mM	7.0	ambient	298
2	3D_15N-separated_NOESY	1.0mM RSGI RUH-009 U-15N, 13C; 20mM d-Tris-HCl buffer; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O	90% H2O/10% D2O	100mM	7.0	ambient	298

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

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dyanamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations, structures with the lowest energy, target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy and target function)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	processing	NMRPipe	20031121	Delaglio, F.
3	data analysis	NMRView	5.0.4	Johnson, B. A.
4	data analysis	KUJIRA	0.893	Kobayashi, N.
5	refinement	CYANA	1.0.7	Guntert, P.

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.