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 |