3W7K
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-066
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 | 2010-02-06 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.964, 71.627, 129.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.350 - 1.610 |
R-factor | 0.1501 |
Rwork | 0.148 |
R-free | 0.18040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w75 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.233 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
Rmerge | 0.076 | 0.050 | 0.426 |
Number of reflections | 82903 | ||
<I/σ(I)> | 11 | 4.43 | |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 7.3 | 6.7 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 277 | 0.1M Cacodylate, 13% PEG3350, 0.05M Hexaamminecobalt (III) Chloride, 1mM Oxonate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |