4O8S
Crystal structure of JHP933 from Helicobacter pylori
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2012-11-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 62 |
Unit cell lengths | 90.056, 90.056, 70.867 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.005 - 2.100 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.23080 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.137 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.139 | 0.118 | 0.932 |
Number of reflections | 20549 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.9 | 99 | 100 |
Redundancy | 6.3 | 6.1 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Potassium Sodium tartarate, 0.1M Tris-HCl, 32%(v/w) PEG4000, pH 7.5, vapor diffusion, sitting drop, temperature 293K |