9VPS
Crystal structure of the C131A mutant of Trypanosoma brucei DHODH in FMN-reduced, ligand-free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2015-06-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 139.755, 146.734, 65.784 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.100 - 1.800 |
| R-factor | 0.18629 |
| Rwork | 0.185 |
| R-free | 0.20870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xfv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.117 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 0.277 |
| Number of reflections | 125152 | 6191 |
| <I/σ(I)> | 36.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.6 M malonate, 48 mM citrate. soaked into saturated dithionite (< 1min) |
