4YLW
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2014-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.721, 90.721, 123.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.640 - 1.790 |
| R-factor | 0.15545 |
| Rwork | 0.155 |
| R-free | 0.17822 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jts |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.466 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.640 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.513 | |
| Number of reflections | 53848 | |
| <I/σ(I)> | 11.7 | 5.7 |
| Completeness [%] | 99.9 | 99.89 |
| Redundancy | 10.1 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate |
