2BOY
Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-16 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 83.179, 86.610, 93.447 |
| Unit cell angles | 85.37, 66.53, 76.94 |
Refinement procedure
| Resolution | 84.510 - 1.900 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s9a |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.571 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.500 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 1777980 | |
| <I/σ(I)> | 23.5 | 2.8 |
| Completeness [%] | 96.9 | 82.6 |
| Redundancy | 4.9 | 1.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 296 | 15% PEG 8000, 0.3 M MAGNESIUM ACETATE, 100 MM HEPES PH 7.5, 5% GLYCEROL 296 K |
