3W7C
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-077
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2009-11-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.016, 71.599, 129.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.030 - 1.750 |
R-factor | 0.1441 |
Rwork | 0.141 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w6y |
RMSD bond length | 0.019 |
RMSD bond angle | 1.968 |
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 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.072 | 0.034 | 0.408 |
Number of reflections | 49701 | ||
<I/σ(I)> | 12.5 | 4.23 | |
Completeness [%] | 76.6 | 87.6 | 77.2 |
Redundancy | 4.4 | 6.1 | 4 |
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 |