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 |