Experiment: 6KVG

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-15N NOESY	0.7 mM [U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
2	3D 1H-15N TOCSY	0.7 mM [U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 750
3	3D HNCO	0.7 mM [U-99% 13C; U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
4	3D HNCACB	0.7 mM [U-99% 13C; U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
5	3D CBCA(CO)NH	0.7 mM [U-99% 13C; U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
6	3D H(CCO)NH	0.7 mM [U-99% 13C; U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 750
7	3D C(CO)NH	0.7 mM [U-99% 13C; U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 750
8	3D 1H-13C NOESY	0.7 mM [U-99% 13C] human Orc6	100% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
9	3D HCCH-COSY	0.7 mM [U-99% 13C] human Orc6	100% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
10	3D HCCH-TOCSY	0.7 mM [U-99% 13C] human Orc6	100% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 500
11	2D 1H-15N HSQC	0.7 mM [U-99% 15N] human Orc6	90% H2O/10% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800
12	2D 1H-13C HSQC	0.7 mM [U-99% 13C] human Orc6	100% D2O	150 mM	6.5	ambient Pa	298	Varian INOVA 800

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800
2	Varian	INOVA	750
3	Varian	INOVA	500

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
2	structure calculation	CYANA		Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	Sparky		Goddard
4	peak picking	Sparky		Goddard

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.