3O32
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.992 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 90.530, 90.530, 309.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.850 |
| R-factor | 0.2165 |
| Rwork | 0.213 |
| R-free | 0.28850 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1s9a |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.656 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.501 | 29.500 | 2.960 |
| High resolution limit [Å] | 2.790 | 8.100 | 2.790 |
| Rmerge | 0.050 | 0.019 | 0.585 |
| Number of reflections | 19580 | 905 | 3014 |
| <I/σ(I)> | 32.16 | 74.9 | 4.3 |
| Completeness [%] | 99.3 | 91.6 | 98.1 |
| Redundancy | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 296 | ammonium sulphate, NaCl, TRIS, pH 9.0, vapor diffusion, temperature 296K |
