3W7J
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040
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 | 2010-01-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.999, 71.693, 129.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.260 - 1.580 |
R-factor | 0.1486 |
Rwork | 0.147 |
R-free | 0.18190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w74 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.321 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
Rmerge | 0.093 | 0.050 | 0.418 |
Number of reflections | 80236 | ||
<I/σ(I)> | 10.3 | 5 | |
Completeness [%] | 91.2 | 92.1 | 89.8 |
Redundancy | 5.5 | 5.3 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 277 | 0.1M Cacodylate, 13% PEG3350, 0.05M Hexaamminecobalt (III) Chloride, 1mM Oxonate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |