6ET4
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.860, 90.860, 122.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.10697 |
| Rwork | 0.105 |
| R-free | 0.13809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oqv |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.284 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 64865 | |
| <I/σ(I)> | 23.4 | 4.3 |
| Completeness [%] | 99.1 | 86.1 |
| Redundancy | 10.7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 30% glycerol, 100 mM Sodium acetate pH 4.8, 2 M Ammoniumsulphate |
