5E1X
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 3,4-dichlorophenol bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.140, 71.140, 87.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.620 - 1.460 |
| R-factor | 0.17267 |
| Rwork | 0.172 |
| R-free | 0.19352 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5e1w |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.774 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.620 | 1.690 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.070 | 1.074 |
| Number of reflections | 42515 | |
| <I/σ(I)> | 16.8 | 3.1 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 8.2 | 7.7 |
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 |
