3W72
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-107
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 | 67.837, 71.905, 128.306 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.110 - 1.550 |
R-factor | 0.1424 |
Rwork | 0.141 |
R-free | 0.17250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.408 |
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 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.066 | 0.043 | 0.409 |
Number of reflections | 90935 | ||
<I/σ(I)> | 13.6 | 3.36 | |
Completeness [%] | 98.9 | 94 | 99.5 |
Redundancy | 4.3 | 4.5 | 4.1 |
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 |