5E1W
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the ligand free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.950, 71.950, 87.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.160 - 1.392 |
| R-factor | 0.13721 |
| Rwork | 0.136 |
| R-free | 0.16929 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.348 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.160 | 1.428 |
| High resolution limit [Å] | 1.392 | 1.392 |
| Rmerge | 0.048 | 0.566 |
| Number of reflections | 50241 | |
| <I/σ(I)> | 19.4 | 3 |
| Completeness [%] | 99.8 | 96.4 |
| Redundancy | 6.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | Crystals formed in 0.1M Tris pH 7.5, 0.3M sodium acetate, 15% w/v PEG 4K were flash-cooled in liquid nitrogen by supplementing the mother liquor with 10% PEG 200. |
