2EDU

Solution structure of RSGI RUH-070, a C-terminal domain of kinesin-like protein KIF22 from human cDNA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1.16mM RSGI RUH-070 U-15N, 13C; 20mM d-Tris-HCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	120mM	7.0	ambient	298
2	3D_15N-separated_NOESY	1.16mM RSGI RUH-070 U-15N, 13C; 20mM d-Tris-HCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	120mM	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	900
2	Varian	INOVA	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		VNMR

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	Spectrometer_id 1 for 3D_13C-separated_NOESY; Spectrometer_id 2 for 3D_15N-separated_NOESY

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1C	Varian
2	processing	NMRPipe	20060524	Delaglio, F.
3	data analysis	NMRView	5.0.4	Johnson, B. A.
4	data analysis	KUJIRA	0.9820	Kobayashi, N.
5	refinement	CYANA	2.0.17	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.