9UB2
Crystal structure of human DHODH in complex with inhibitor 006
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] | 293.15 |
| Detector technology | PIXEL |
| Collection date | 2024-06-27 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 92.915, 92.915, 125.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.980 - 1.900 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.950 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.467 | 5.160 |
| High resolution limit [Å] | 1.900 | 1.930 |
| Rmeas | 0.183 | |
| Rpim | 0.041 | |
| Number of reflections | 49715 | 7500 |
| <I/σ(I)> | 67.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.4 | |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293.15 | acetate, ammonium sulfate, glycerol, sodium chloride, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, ethylenediaminetetraacetic acid |
