1G6P

SOLUTION NMR STRUCTURE OF THE COLD SHOCK PROTEIN FROM THE HYPERTHERMOPHILIC BACTERIUM THERMOTOGA MARITIMA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1.5mM Cold shock protein U-15N,13C; 50mM phosphate buffer pH6.5; 20mM NaCl	92% H2O, 8% D2O		6.5	ambient	303
2	3D_15N-separated_NOESY	1.5mM Cold shock protein U-15N,13C; 50mM phosphate buffer pH6.5; 20mM NaCl	92% H2O, 8% D2O		6.5	ambient	303
3	3D_13C-separated_NOESY	1.5mM Cold shock protein U-15N,13C; 50mM phosphate buffer pH6.5; 20mM NaCl	92% H2O, 8% D2O		6.5	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	500
2	Bruker	DMX	800

NMR Refinement
Method	Details	Software
dynamic simulated annealing protocol		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	7

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker Analytik
2	data analysis	AURELIA	2.7.10	Bruker Analytik
3	structure solution	X-PLOR	3.851	Brunger
4	refinement	X-PLOR	3.851	Brunger

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.