2E68
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.443, 71.944, 123.852 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 1.380 |
| R-factor | 0.16919 |
| Rwork | 0.168 |
| R-free | 0.18286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e6a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.198 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.084 | 0.396 |
| Number of reflections | 122937 | |
| <I/σ(I)> | 10.5 | 4.26 |
| Completeness [%] | 97.5 | 98.9 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 18% PEG 3350, 1mM Oxonic acid potassium salt, 0.25M Hexammine cobalt trichloride, 0.1M cacodylate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
