4C6J
Crystal structure of the dihydroorotase domain of human CAD bound to substrate at pH 7.5
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 | 2013-05-09 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.175, 158.908, 61.388 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.578 - 1.299 |
R-factor | 0.1228 |
Rwork | 0.122 |
R-free | 0.14090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.318 |
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] | 48.580 | 1.380 |
High resolution limit [Å] | 1.310 | 1.310 |
Rmerge | 0.050 | 0.550 |
Number of reflections | 98784 | |
<I/σ(I)> | 9 | 1.9 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 4.4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |