3W84
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-101
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2010-06-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.276, 71.676, 129.906 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.340 - 1.930 |
R-factor | 0.202 |
Rwork | 0.199 |
R-free | 0.25430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w7m |
RMSD bond length | 0.018 |
RMSD bond angle | 1.880 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.000 |
High resolution limit [Å] | 1.930 | 4.150 | 1.930 |
Rmerge | 0.138 | 0.068 | 0.403 |
Number of reflections | 48677 | ||
<I/σ(I)> | 7.8 | 7.69 | |
Completeness [%] | 99.5 | 97.5 | 100 |
Redundancy | 6.9 | 6 | 7.1 |
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 |