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 |