9W3M
The structures of human dihydroorotate dehydrogenase with inhibitor HL-008
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 298.15 |
| Detector technology | PIXEL |
| Collection date | 2024-06-27 |
| Detector | STFC Large Pixel Detector |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 92.906, 92.906, 125.479 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.410 - 1.860 |
| R-factor | 0.2076 |
| Rwork | 0.207 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.106 |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX (1.21.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.410 | 5.050 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmeas | 0.134 | |
| Rpim | 0.041 | |
| Number of reflections | 2459728 | 43789 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 98.7 | |
| Redundancy | 19 | |
| CC(1/2) | 0.996 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 300 mM NaCl, 50 mM HEPES, 1 mM EDTA, 22% glycerol, 10 mM UDAO and 20.8 mM DDAO, pH 7.7 |
