2DJL
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate
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 | 2005-06-19 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.154, 71.766, 123.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.380 |
| R-factor | 0.16612 |
| Rwork | 0.165 |
| R-free | 0.18277 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e6a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.192 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.060 | 0.330 |
| Number of reflections | 118965 | |
| <I/σ(I)> | 9 | 2.62 |
| Completeness [%] | 94.9 | 69.5 |
| Redundancy | 5.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 18% PEG 3350, 1mM Oxonic acid potassium salt, 0.25M hexaammine cobalt trichloride, 0.1M cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
