5ZFA
Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.497, 90.497, 122.667 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.020 - 1.750 |
| R-factor | 0.16812 |
| Rwork | 0.167 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zws |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.372 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.062 | 0.516 |
| Number of reflections | 59323 | |
| <I/σ(I)> | 12.1 | 4.3 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 8.9 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 293 | 100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE |
