5BPX
Structure of the 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 83.250, 83.250, 114.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.620 - 1.880 |
| R-factor | 0.14345 |
| Rwork | 0.142 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p9g |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.233 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.620 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.122 | 0.800 |
| Number of reflections | 19556 | |
| <I/σ(I)> | 21.8 | 5 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 20.3 | 19.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 294 | 0.1 M sodium cacodylate pH 5.9 - 6.8. 1.1 - 1.6 M sodium acetate |
