6AJE
Crystal structure of DHODH in complex with ferulenol from Eimeria tenella
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-11 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 132.984, 132.984, 214.998 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.650 |
| R-factor | 0.22508 |
| Rwork | 0.221 |
| R-free | 0.30334 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6aj5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.522 |
| 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 | 3.710 |
| High resolution limit [Å] | 3.650 | 3.650 |
| Rmerge | 0.075 | 0.797 |
| Number of reflections | 24158 | 1187 |
| <I/σ(I)> | 7.9 | 1.74 |
| Completeness [%] | 96.1 | 96.7 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M HEPES, 1.8 M Triammonium citrate, 1 mM ferulenol |
