4C6F
Crystal structure of the dihydroorotase domain of human CAD bound to substrate at pH 6.5
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 | 2011-09-01 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.170, 158.870, 61.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.490 - 1.261 |
R-factor | 0.1232 |
Rwork | 0.123 |
R-free | 0.13570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6c |
RMSD bond length | 0.019 |
RMSD bond angle | 1.408 |
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] | 48.490 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.050 | 0.610 |
Number of reflections | 107452 | |
<I/σ(I)> | 26.1 | 4.8 |
Completeness [%] | 99.8 | 97.1 |
Redundancy | 10.7 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |