6VND
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.526, 90.526, 123.761 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.780 - 1.970 |
| R-factor | 0.1571 |
| Rwork | 0.155 |
| R-free | 0.19010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zws |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.381 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.079 | 0.520 |
| Number of reflections | 38783 | 1953 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 92.7 | 93.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 2.5 M ammonium sulfate, 30% glycerol, 0.1 M sodium acetate, pH 4.8 |
