5HQE
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-05 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.624, 90.624, 123.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.240 - 1.620 |
| R-factor | 0.16131 |
| Rwork | 0.160 |
| R-free | 0.18175 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.704 |
| Data reduction software | PHENIX |
| Data scaling software | HKL-3000 |
| Phasing software | Coot |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 39.240 |
| High resolution limit [Å] | 1.620 |
| Number of reflections | 70538 |
| <I/σ(I)> | 3.5 |
| Completeness [%] | 99.9 |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M acetate, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8 M ammonium sulfate |
