4ZQE
Crystal structure of DOX-P Reductoisomerase in complex with magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 41 |
Unit cell lengths | 133.210, 133.210, 77.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.400 - 1.980 |
R-factor | 0.17203 |
Rwork | 0.171 |
R-free | 0.19513 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.882 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.400 |
High resolution limit [Å] | 1.980 |
Number of reflections | 93623 |
<I/σ(I)> | 8.3 |
Completeness [%] | 99.3 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M sodium citrate pH 5.2, 0.15 sodium/potassium tartrate 1.6 M ammonium sulphate |