3KWL
Crystal structure of a hypothetical protein from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97960 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.623, 95.099, 65.048 |
| Unit cell angles | 90.00, 109.14, 90.00 |
Refinement procedure
| Resolution | 30.730 - 1.940 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21900 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.183 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.940 | 4.200 | 1.950 |
| Rmerge | 0.091 | 0.067 | 0.426 |
| Number of reflections | 39957 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 99.5 | 99.7 | 96 |
| Redundancy | 7.3 | 7.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 22% PEG3350, 0.2M MgCl2, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
