5E20
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 2,3-dichlorophenol bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-26 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.320, 71.320, 87.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.390 - 1.970 |
| R-factor | 0.19315 |
| Rwork | 0.191 |
| R-free | 0.23412 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e1w |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.006 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.8.0049) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.390 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.061 | 0.543 |
| Number of reflections | 17630 | |
| <I/σ(I)> | 24.4 | 3.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.8 | 10.2 |
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 |
