9FS1
Mutant S1538L of the dihydroorotase domain of human CAD protein bound to 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 | 2023-07-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.331, 158.718, 61.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.830 - 1.210 |
| R-factor | 0.1306 |
| Rwork | 0.130 |
| R-free | 0.15120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.234 |
| Data scaling software | Aimless |
| Phasing software | PHASER (CCP4 v8.0) |
| Refinement software | REFMAC (CCP4 v8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.080 | 1.260 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Number of reflections | 119378 | 5546 |
| <I/σ(I)> | 20.4 | 0.8 |
| Completeness [%] | 99.2 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.992 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 291 | 100 mM HEPES pH 7, 2.5 M sodium formate, 2 mM carbamoyl aspartate |
