8PBJ
Mutant R1722W 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 | 82.219, 158.537, 61.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.250 - 1.550 |
R-factor | 0.139 |
Rwork | 0.137 |
R-free | 0.17200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.088 |
Phasing software | PHASER (v8.0) |
Refinement software | REFMAC (v8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.250 | 1.605 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 260707 | 25487 |
<I/σ(I)> | 10.18 | 2.39 |
Completeness [%] | 98.2 | |
Redundancy | 6.7 | |
CC(1/2) | 0.997 | 0.784 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 100 mM Tris-HCl, 2.5 M sodium formate, 2 mM carbamoyl aspartate |