9VPU
Crystal structure of the C131A mutant of Trypanosoma brucei DHODH in FMN-reduced, 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) | 1.0800 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 140.052, 146.329, 65.619 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.17598 |
| Rwork | 0.174 |
| R-free | 0.20747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xfv |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.241 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.846 |
| Number of reflections | 91110 | 3256 |
| <I/σ(I)> | 16.94 | |
| Completeness [%] | 99.2 | |
| Redundancy | 10.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.6 M malonate, 48 mM citrate. soaked into 50 mM L-dihydroorotate (15 min), and then saturated dithionite (< 1min) |
