2WDR
E. coli succinate:quinone oxidoreductase (SQR) with pentachlorophenol bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 119.955, 186.128, 204.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.520 - 3.200 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.22800 |
| Structure solution method | OTHER |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.066 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.060 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.120 | 0.540 |
| Number of reflections | 76421 | |
| <I/σ(I)> | 9.8 | 2.1 |
| Completeness [%] | 99.3 | 97.9 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M TRIS PH8.5, 0.1M LI2SO4, 0.1M NACL, 0.009% DDM, 12% PEG4000 |
