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 |
