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 |
