3W7R
Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097
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] | 77 |
| Detector technology | CCD |
| Collection date | 2012-01-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.449, 90.449, 123.063 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.340 - 1.680 |
| R-factor | 0.14181 |
| Rwork | 0.140 |
| R-free | 0.17186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zws |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.888 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.058 | 0.410 |
| Number of reflections | 66902 | |
| <I/σ(I)> | 11.5 | 6.31 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11 | 11 |
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, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
