4C6M
Crystal structure of the dihydroorotase domain of human CAD bound to the inhibitor fluoroorotate 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 | 2013-02-06 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.250, 158.640, 61.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.905 - 1.620 |
| R-factor | 0.1149 |
| Rwork | 0.113 |
| R-free | 0.14310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6c |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.287 |
| 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] | 19.900 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.070 | 0.580 |
| Number of reflections | 51524 | |
| <I/σ(I)> | 17.5 | 4.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7.0 |
