4US8
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2011-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 143.229, 143.229, 162.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 124.040 - 1.490 |
| R-factor | 0.09264 |
| Rwork | 0.091 |
| R-free | 0.12215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vlb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.999 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 124.040 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.040 | 0.220 |
| Number of reflections | 158222 | |
| <I/σ(I)> | 20.4 | 7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 277 | VAPOR DIFFUSION, SITTING DROP, AT 277 K. CRYSTALLIZED USING 30% ISOPROPANOL, 0.2M MGCL2, 0.2M HEPES PH 7.6. ISOPROPANOL WAS REMOVED AND CRYSTAL WAS SOAKED WITH 1.4MM BENZALDEHYDE FOR 1H. |
