2K0Z

Solution NMR structure of protein hp1203 from Helicobacter pylori 26695. Northeast Structural Genomics Consortium (NESG) target PT1/Ontario Center for Structural Proteomics target hp1203

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HNCO	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
2	3D CBCA(CO)NH	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
3	3D HNCACB	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
4	3D HN(CO)CA	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
5	3D HNCA	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
6	3D C(CO)NH	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
7	3D H(CCO)NH	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
8	3D HBHA(CO)NH	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
9	3D HNHA	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
10	3D HCCH-TOCSY	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
11	3D HCCH-COSY	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
12	3D 1H-15N NOESY	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
13	3D 1H-13C NOESY	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
14	aiv 3D 1H-13C NOESY	0.5 mM [U-99% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298
15	2D 1H-13C HSQC	0.5 mM [U-7% 13C; U-99% 15N] unknown function protein hp1203 from Helicobacter pylori 26695, 10 mM [U-100% 2H] Tris-HCl, 300 mM sodium chloride, 0.01 % sodium azide, 10 mM benzamidine	90% H2O/10% D2O	300	7	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
torsion angle dynamics, molecular dynamics		NMRPipe

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	processing	NMRPipe	2.3	Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2	data analysis	Sparky	3.95	Goddard
3	peak picking	Sparky	3.95	Goddard
4	chemical shift assignment	AutoAssign		Zimmerman, Moseley, Kulikowski and Montelione
5	structure solution	CYANA	2.1	Guntert, Mumenthaler and Wuthrich
6	refinement	CNS	1.0	Brunger, Adams, Clore, Gros, Nilges and Read
7	validation	AutoStructure	2.1.0	Huang, Tejero, Powers and Montelione

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.