4C6L
Crystal structure of the dihydroorotase domain of human CAD bound to the inhibitor fluoroorotate at pH 6.0
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 | 2011-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.960, 158.370, 61.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.381 - 1.550 |
| R-factor | 0.1254 |
| Rwork | 0.124 |
| R-free | 0.15870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6c |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.338 |
| 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] | 48.400 | 1.590 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.130 | 0.550 |
| Number of reflections | 58102 | |
| <I/σ(I)> | 10.9 | 3.4 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.3 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | pH 6.0 |
