3W23
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-131
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 | 2008-11-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.998, 71.899, 129.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.470 - 1.480 |
R-factor | 0.14603 |
Rwork | 0.144 |
R-free | 0.17724 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w1a |
RMSD bond length | 0.026 |
RMSD bond angle | 2.399 |
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 | 1.530 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.103 | 0.434 |
Number of reflections | 98558 | |
<I/σ(I)> | 0.069 | 3.04 |
Completeness [%] | 92.9 | 86.8 |
Redundancy | 6.4 | 6.3 |
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 |