4C7Y
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with sodium dithionite and sodium sulfide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-09-07 |
| Detector | ADSC QUANTUM 4r |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 143.250, 143.250, 162.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 124.060 - 1.570 |
| R-factor | 0.13557 |
| Rwork | 0.134 |
| R-free | 0.15792 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vlb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.627 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.680 | 1.650 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 135137 | |
| <I/σ(I)> | 12.5 | 3.8 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 5.3 | 4.9 |
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 CRYSTALS WERE SOAKED WITH 30MM SODIUM DITHIONITE AND 7MM SODIUM SULFIDE FOR 24H. |
