3W74
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139
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 | 2009-05-15 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.05393 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.907, 71.451, 130.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.270 - 1.900 |
R-factor | 0.1752 |
Rwork | 0.172 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w1q |
RMSD bond length | 0.020 |
RMSD bond angle | 2.004 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 5.210 | 1.920 |
Rmerge | 0.074 | 0.045 | 0.407 |
Number of reflections | 42168 | ||
<I/σ(I)> | 11.3 | 5.42 | |
Completeness [%] | 84.9 | 89 | 86.6 |
Redundancy | 4.4 | 4.4 | 4.5 |
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 |