2KQX | pdb_00002kqx

NMR structure of the J-domain (residues 2-72) in the Escherichia coli CbpA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	1 mM [U-13C; U-15N] protein, 50 mM sodium phosphate, 250 mM sodium chloride, 1 mM DTT	90% H2O/10% D2O	300	6.8	ambient	300
2	3D 1H-15N NOESY	1 mM [U-13C; U-15N] protein, 50 mM sodium phosphate, 250 mM sodium chloride, 1 mM DTT	90% H2O/10% D2O	300	6.8	ambient	300
3	3D 1H-13C NOESY	1 mM [U-13C; U-15N] protein, 50 mM sodium phosphate, 250 mM sodium chloride, 1 mM DTT	90% H2O/10% D2O	300	6.8	ambient	300
4	2D 1H-1H NOESY	1 mM [U-13C; U-15N] protein, 50 mM sodium phosphate, 250 mM sodium chloride, 1 mM DTT	90% H2O/10% D2O	300	6.8	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	500

NMR Refinement
Method	Details	Software
simulated annealing		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	25
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR		Bruker Biospin
2	refinement	XPLOR-NIH	2.23

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.