8PBT
Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the substrate dihydroorotate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.067, 158.720, 61.115 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.360 - 1.430 |
R-factor | 0.1488 |
Rwork | 0.148 |
R-free | 0.17110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.068 |
Data reduction software | XDS |
Phasing software | PHASER (v8.0) |
Refinement software | REFMAC (v8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.360 | 1.486 |
High resolution limit [Å] | 1.430 | 1.435 |
Number of reflections | 424906 | 7254 |
<I/σ(I)> | 9.97 | 1.61 |
Completeness [%] | 87.9 | |
Redundancy | 6.6 | |
CC(1/2) | 0.995 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 100 mM HEPES pH 6.5, 2.7 M sodium formate, 2 mM dihydroorotate |