8PBP
Mutant R1785C 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 | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.132, 158.552, 61.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.720 - 1.540 |
| R-factor | 0.1553 |
| Rwork | 0.153 |
| R-free | 0.19370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.213 |
| Phasing software | PHASER (v8.0) |
| Refinement software | REFMAC (v8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.720 | 1.595 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 59225 | 5377 |
| <I/σ(I)> | 13.19 | 0.98 |
| Completeness [%] | 98.7 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.999 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 100 mM HEPES pH 7, 2.8 M sodium formate, 2 mM carbamoyl aspartate |
