4C6N
Crystal structure of the dihydroorotase domain of human CAD E1637T mutant bound to substrate 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 | 2012-02-01 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.100, 159.170, 60.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.399 - 1.899 |
R-factor | 0.1469 |
Rwork | 0.146 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6c |
RMSD bond length | 0.013 |
RMSD bond angle | 1.119 |
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 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.070 | 0.350 |
Number of reflections | 31728 | |
<I/σ(I)> | 17.4 | 6.1 |
Completeness [%] | 99.3 | 91.6 |
Redundancy | 5.6 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | pH 6.0 |