3W2K
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-165
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2008-12-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.057, 71.981, 128.884 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.660 - 1.540 |
R-factor | 0.13775 |
Rwork | 0.136 |
R-free | 0.16851 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w23 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.412 |
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 | 1.600 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.056 | 0.388 |
Number of reflections | 78580 | |
<I/σ(I)> | 13.8 | 4.02 |
Completeness [%] | 83.3 | 82.9 |
Redundancy | 4.9 | 4.7 |
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 |