3QQA
Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-11-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.992, 37.774, 57.642 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.594 - 2.200 |
| R-factor | 0.2248 |
| Rwork | 0.222 |
| R-free | 0.28410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.069 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.045 | 0.021 | 0.255 |
| Number of reflections | 10812 | ||
| <I/σ(I)> | 16 | ||
| Completeness [%] | 98.2 | 93.4 | 99.8 |
| Redundancy | 4.7 | 4.5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 30 % PEG3350, 0.1 M Tris, and 0.16 M MgCl2, pH 8.0, VAPOR DIFFUSION, temperature 298K |
