3W2M
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-183
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 | 67.998, 71.988, 129.097 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.880 - 1.580 |
R-factor | 0.13882 |
Rwork | 0.137 |
R-free | 0.16885 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w2l |
RMSD bond length | 0.026 |
RMSD bond angle | 2.376 |
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 | 1.640 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.067 | 0.397 |
Number of reflections | 79498 | |
<I/σ(I)> | 13 | 4.2 |
Completeness [%] | 95.2 | 96.2 |
Redundancy | 5 | 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 |