5A03
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with xylose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.059, 153.480, 107.327 |
| Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
| Resolution | 49.995 - 1.848 |
| R-factor | 0.1684 |
| Rwork | 0.167 |
| R-free | 0.19450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h6a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.098 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 256258 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 97.0 | 92 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | MES PH 6.5, AMMONIUM SULPHATE, 1,4-DIOXANE |
