2K9I

NMR structure of plasmid copy control protein ORF56 from sulfolobus islandicus

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
2	2D 1H-13C HSQC	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
3	3D HNCO	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
4	3D HNCA	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
5	3D HNCACB	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
6	3D HCCH-TOCSY	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
7	2D 1H-1H NOESY	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298
8	2D 1H-1H TOCSY	1mM [U-13C; U-15N] protein, 2mM protein	90% H2O/10% D2O	0.05	5.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700
2	Bruker	DRX	400

NMR Refinement
Method	Details	Software
molecular dynamics		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger A. T. et.al.

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.