2B0M
Human dihydroorotate dehydrogenase bound to a novel inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-02-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.398, 90.398, 123.332 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| Rwork | 0.218 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d3g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.220 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 37871 | |
| <I/σ(I)> | 11.7 | 8.4 |
| Completeness [%] | 94.7 | 86.1 |
| Redundancy | 5.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | ammonium sulfate, sodium acetate, C11DAO, C10DAO, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
