3W2U
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-193
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2009-01-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.215, 71.669, 129.671 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.510 - 2.250 |
R-factor | 0.20841 |
Rwork | 0.205 |
R-free | 0.27039 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w2n |
RMSD bond length | 0.018 |
RMSD bond angle | 1.891 |
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 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.105 | 0.309 |
Number of reflections | 30968 | |
<I/σ(I)> | 7.7 | 4.57 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.9 | 4.9 |
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 |