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. |