5A02
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.310, 153.590, 108.010 |
| Unit cell angles | 90.00, 109.85, 90.00 |
Refinement procedure
| Resolution | 48.226 - 2.000 |
| R-factor | 0.1609 |
| Rwork | 0.160 |
| R-free | 0.18690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h6a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.490 |
| Number of reflections | 208164 | |
| <I/σ(I)> | 7 | 2 |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | MES PH 6.5, MAGNESIUM SULPHATE, GLYCEROL |
