9WIC
Crystal structure of the human dihydroorotase domain complexed with 5-aminoorotic acid reveals the loop in binding mode
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2025-07-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.124, 158.877, 61.329 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.550 - 1.830 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.991 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.550 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 35872 | 5671 |
| <I/σ(I)> | 15.4 | 2.8 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 7.3 | 7.6 |
| CC(1/2) | 0.999 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES, pH 7.0, 1.6M potassium sodium tartrate tetrahydrate |
