4JD4
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-065
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 | 2009-03-14 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.114, 71.964, 128.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.200 - 1.510 |
R-factor | 0.1375 |
Rwork | 0.136 |
R-free | 0.16220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w1a |
RMSD bond length | 0.026 |
RMSD bond angle | 2.404 |
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 | 1.540 |
High resolution limit [Å] | 1.510 | 4.100 | 1.510 |
Rmerge | 0.058 | 0.040 | 0.405 |
Number of reflections | 93822 | ||
<I/σ(I)> | 18.5 | 5.6 | |
Completeness [%] | 94.4 | 92.1 | 94.9 |
Redundancy | 5.7 | 5.4 | 5.7 |
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 |