3FC4
Ethylene glycol inhibited form of Aldehyde oxidoreductase from Desulfovibrio gigas
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 142.800, 142.800, 161.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.440 - 1.790 |
| R-factor | 0.155 |
| Rwork | 0.153 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vlb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.420 |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.440 | 30.370 | 1.890 |
| High resolution limit [Å] | 1.790 | 5.660 | 1.790 |
| Rmerge | 0.062 | 0.033 | 0.327 |
| Total number of observations | 12971 | 45045 | |
| Number of reflections | 89511 | ||
| <I/σ(I)> | 9.421 | 13.9 | 2.2 |
| Completeness [%] | 98.4 | 94.5 | 97.5 |
| Redundancy | 4.4 | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 277 | isopropanol, MgCl2, pH 7.6, vapor diffusion, sitting drop, temperature 277K |
