3W3O
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-053
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2009-03-04 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.986, 71.535, 129.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.530 - 1.960 |
| R-factor | 0.15138 |
| Rwork | 0.149 |
| R-free | 0.19177 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w2u |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.010 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.970 |
| Rmerge | 0.084 | 0.398 |
| Number of reflections | 45252 | |
| <I/σ(I)> | 9.7 | 5.04 |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 298 | 0.1M Cacodylate, 13% PEG3350, 0.05M Hexaamminecobalt (III) Chloride, 1mM Oxonate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
