9N6O
Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with 5-(4-hydroxy-3-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980112 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.040, 104.290, 107.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.680 - 1.900 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.137 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.740 | 1.920 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 105966 | 3555 |
| <I/σ(I)> | 7.7 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.997 | 0.436 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294.15 | 1.2M ammonium sulfate, 0.25M lithium sulfate, 0.1M sodium citrate pH5.6 |
