4C6I
Crystal structure of the dihydroorotase domain of human CAD 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 | 2013-05-09 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.072, 158.687, 61.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 1.350 |
| R-factor | 0.1242 |
| Rwork | 0.123 |
| R-free | 0.14490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6c |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.311 |
| 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] | 47.010 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.050 | 0.610 |
| Number of reflections | 87043 | |
| <I/σ(I)> | 9.9 | 1.4 |
| Completeness [%] | 98.2 | 93 |
| Redundancy | 6.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7.0 |
