5A06
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with sorbitol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-07 |
| Detector | DECTRIS PILATUS3 2M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.189, 154.088, 107.776 |
| Unit cell angles | 90.00, 110.02, 90.00 |
Refinement procedure
| Resolution | 48.101 - 1.841 |
| R-factor | 0.1607 |
| Rwork | 0.159 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h6a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.100 | 0.680 |
| Number of reflections | 264019 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 98.6 | 93 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | MES PH 6.5, AMMONIUM SULPHATE, 2-PROPANOL |
