3W7O
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-165
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2012-12-01 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.965, 71.877, 129.042 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.740 - 1.680 |
R-factor | 0.142 |
Rwork | 0.141 |
R-free | 0.17800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w7g |
RMSD bond length | 0.024 |
RMSD bond angle | 2.327 |
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 | 1.710 |
High resolution limit [Å] | 1.680 | 4.560 | 1.680 |
Rmerge | 0.077 | 0.059 | 0.372 |
Number of reflections | 71092 | ||
<I/σ(I)> | 9 | 4.19 | |
Completeness [%] | 97.6 | 95.5 | 98.5 |
Redundancy | 5.6 | 5.4 | 5.4 |
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 |