3FAH
Glycerol 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 | 142.560, 142.560, 161.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.980 - 1.720 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vlb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.458 |
| Data reduction software | MOSFLM |
| 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] | 123.090 | 28.920 | 1.810 |
| High resolution limit [Å] | 1.720 | 5.440 | 1.720 |
| Rmerge | 0.086 | 0.035 | 0.446 |
| Total number of observations | 12691 | 57480 | |
| Number of reflections | 101724 | ||
| <I/σ(I)> | 6.158 | 14 | 1.7 |
| Completeness [%] | 99.2 | 92.9 | 99.8 |
| Redundancy | 4 | 3.9 | 3.9 |
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 |
