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 |
