9VPY
Crystal structure of the C131A mutant of Trypanosoma brucei DHODH in FMN-reduced, fumarate-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2018-02-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 134.854, 146.604, 64.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.980 - 2.480 |
| R-factor | 0.16607 |
| Rwork | 0.163 |
| R-free | 0.22774 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xfv |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.130 | 0.555 |
| Number of reflections | 46000 | 2226 |
| <I/σ(I)> | 23.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.3 M malonate, 0.2 M citrate, 0.1 M fumarate (co-crytallization). soaked into saturated sodium fumarate (15-30min), and then saturated dithionite (< 1min) |
