9VPT
Crystal structure of the C131A mutant of Trypanosoma brucei DHODH in FMN-oxidized, dihydroorotate-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2020-06-29 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 140.120, 146.655, 66.287 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.170 - 1.900 |
| R-factor | 0.18378 |
| Rwork | 0.183 |
| R-free | 0.20165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xfv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.104 | 0.731 |
| Number of reflections | 108205 | 4893 |
| <I/σ(I)> | 16.33 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.5 M malonate, 0.1 M citrate, 10 mM L-dihydroorotate. soaked into 50 mM L-dihydroorotate (15 min). |
