4C6E
Crystal structure of the dihydroorotase domain of human CAD bound to substrate at pH 5.5
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 | 2011-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.060, 158.630, 61.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.448 - 1.263 |
| R-factor | 0.1216 |
| Rwork | 0.121 |
| R-free | 0.13580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.389 |
| 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] | 48.760 | 1.300 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 107662 | |
| <I/σ(I)> | 24.4 | 4.8 |
| Completeness [%] | 99.7 | 97.1 |
| Redundancy | 10.7 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.5 |
