4ZMG
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.020, 91.020, 122.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.510 - 1.900 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.19788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4js3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.405 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.510 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 44386 | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M acetate, 40 mM UDAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor |
