2XSR
Crystal structure of wild type Acinetobacter radioresistens catechol 1,2 dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.645, 79.447, 83.530 |
| Unit cell angles | 90.00, 132.50, 90.00 |
Refinement procedure
| Resolution | 37.480 - 1.800 |
| R-factor | 0.17377 |
| Rwork | 0.173 |
| R-free | 0.20376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2azq |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.730 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.600 |
| Rmerge | 0.060 |
| Number of reflections | 61576 |
| <I/σ(I)> | 15.2 |
| Completeness [%] | 95.4 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 277 | 2 M AMMONIUM SULPHATE, 0.1 M TRIS- HCL PH 8.5, 277K. |
