3W7E
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-179
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 | 2009-11-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.059, 71.821, 128.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.450 - 1.560 |
R-factor | 0.1427 |
Rwork | 0.141 |
R-free | 0.17340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w71 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.275 |
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 | 1.590 |
High resolution limit [Å] | 1.560 | 4.230 | 1.560 |
Rmerge | 0.072 | 0.043 | 0.429 |
Number of reflections | 89165 | ||
<I/σ(I)> | 10.2 | 3.71 | |
Completeness [%] | 99.4 | 98.7 | 98.8 |
Redundancy | 6 | 5.7 | 5.8 |
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 |