1Z8M

Solution structure of the conserved hypothtical protein HP0894 from Helicobacter pylori

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1.08mM HP0894 U-15N, 13C; 20mM phosphate buffer NA; 500mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	500mM NaCl	5.0	ambient	303
2	3D_15N-separated_NOESY	1.08mM HP0894 U-15N, 13C; 20mM phosphate buffer NA; 500mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	500mM NaCl	5.0	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	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	100
Conformers Submitted Total Number	30
Representative Model	1 (secondary structures)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.5	Bruker
2	data analysis	NMRView	5.0.4	MERCK AND CO., INC.
3	refinement	CNS	1.1	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.