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 |