3W1N
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-iodoorotate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2007-10-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.580, 71.889, 124.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.320 - 2.400 |
R-factor | 0.16367 |
Rwork | 0.160 |
R-free | 0.23632 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w1a |
RMSD bond length | 0.013 |
RMSD bond angle | 1.651 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.094 | 0.241 |
Number of reflections | 21768 | |
<I/σ(I)> | 7 | 5.69 |
Completeness [%] | 87.9 | 99.8 |
Redundancy | 5.1 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 298 | 0.1M Cacodylate, 13% PEG3350, 0.05M Hexaamminecobalt (III) Chloride, 1mM Oxonate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |