4USA
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with trans-cinnamaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2014-03-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 143.143, 143.143, 161.954 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 123.970 - 1.130 |
| R-factor | 0.10265 |
| Rwork | 0.102 |
| R-free | 0.12172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vlb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.107 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 123.970 | 1.150 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.070 | 0.980 |
| Number of reflections | 359257 | |
| <I/σ(I)> | 22.3 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18 | 8.9 |
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 1.1MM TRAS-CINNAMALDEHYDE FOR 20H. |
