8PBH
Mutant R1617Q of the dihydroorotase domain of human CAD protein bound to the substrate carbamoyl aspartate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-22 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.87313 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.413, 159.722, 61.575 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.760 - 1.870 |
R-factor | 0.1546 |
Rwork | 0.153 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.825 |
Phasing software | PHASER (v8.0) |
Refinement software | REFMAC (v8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.760 | 1.937 |
High resolution limit [Å] | 1.870 | 1.870 |
Number of reflections | 34222 | 20412 |
<I/σ(I)> | 11.45 | 2.57 |
Completeness [%] | 99.8 | |
Redundancy | 5.9 | |
CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM HEPES ph 7.5, 3 M sodium formate, 2 mM carbamoyl aspartate |