8PBU
Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate
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 | 82.170, 158.967, 61.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.630 - 1.670 |
R-factor | 0.1437 |
Rwork | 0.141 |
R-free | 0.19070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.738 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (v8.0) |
Refinement software | REFMAC (v8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.630 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Number of reflections | 46868 | 3855 |
<I/σ(I)> | 10.59 | 1.52 |
Completeness [%] | 91.6 | |
Redundancy | 6.5 | |
CC(1/2) | 0.997 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 100 mM Tris-HCl pH 7, 2.5 M sodium formate, 2 mM fluoroorotate |