6CJF
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.752, 51.527, 65.088 |
| Unit cell angles | 89.15, 81.61, 76.44 |
Refinement procedure
| Resolution | 32.473 - 1.630 |
| R-factor | 0.1645 |
| Rwork | 0.163 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4igh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.865 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 75537 | |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 97.2 | 95.2 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.72 M ammonium sulfate, 1.4 M sodium chloride, 0.1 M sodium acetate pH 5.3, 10 mM DTT |
