4C6Q
Crystal structure of the dihydroorotase domain of human CAD C1613S mutant bound to substrate at pH 7.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-20 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.070, 158.653, 61.661 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.077 - 1.659 |
R-factor | 0.1197 |
Rwork | 0.117 |
R-free | 0.16280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6c |
RMSD bond length | 0.013 |
RMSD bond angle | 1.312 |
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] | 47.080 | 1.700 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.060 | 0.530 |
Number of reflections | 47725 | |
<I/σ(I)> | 12.5 | 2.1 |
Completeness [%] | 97.4 | 96.2 |
Redundancy | 2.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7.0 |