9VPW
Crystal structure of the C131A mutant of Trypanosoma brucei DHODH in FMN-reduced, orotate-bound 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 | 2016-06-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 139.424, 147.770, 65.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.490 - 2.300 |
| R-factor | 0.19754 |
| Rwork | 0.194 |
| R-free | 0.26009 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xfv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.420 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.157 | 0.761 |
| Number of reflections | 60082 | 2997 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.95 M malonate, 0.128 M citrate, 50 mM Arg, 12.5 mM orotate (co-crytstallization). soaked int saturated dithionite (< 1min) |
