4C6K
Crystal structure of the dihydroorotase domain of human CAD bound to substrate at pH 8.0
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 | 82.129, 158.809, 61.357 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.551 - 1.478 |
R-factor | 0.1182 |
Rwork | 0.117 |
R-free | 0.14950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.317 |
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] | 48.550 | 1.560 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.060 | 0.450 |
Number of reflections | 67113 | |
<I/σ(I)> | 10.7 | 2 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 6.5 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | pH 8.0 |