2XSU
Crystal structure of the A72G mutant of 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 CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.614, 78.940, 76.019 |
| Unit cell angles | 90.00, 125.75, 90.00 |
Refinement procedure
| Resolution | 41.240 - 1.600 |
| R-factor | 0.18805 |
| Rwork | 0.188 |
| R-free | 0.21694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2azq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.708 |
| 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 | 0.050 |
| Number of reflections | 62470 |
| <I/σ(I)> | 12.1 |
| Completeness [%] | 97.7 |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
