5OYN
Crystal structure of D-xylonate dehydratase in holo-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-24 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 270.420, 236.130, 65.160 |
Unit cell angles | 90.00, 97.38, 90.00 |
Refinement procedure
Resolution | 29.935 - 2.700 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21750 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.942 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.690 | 2.730 |
High resolution limit [Å] | 2.660 | 2.660 |
Number of reflections | 114638 | 17945 |
<I/σ(I)> | 17.2 | 2.1 |
Completeness [%] | 99.0 | 95.8 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.990 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 3.8 M sodium formate pH 7.0, 0.1 M TES pH 7.0, 5 mM magnesium formate, 4% PEG 3350 |