3C3N
Crystal structure of dihydroorotate dehydrogenase from Trypanosoma cruzi strain Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-07 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.427 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.390, 123.920, 128.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.800 - 2.200 |
R-factor | 0.207 |
Rwork | 0.206 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.800 | 2.230 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.101 | 0.323 |
Number of reflections | 62549 | 2062 |
<I/σ(I)> | 9.72 | 4.3 |
Completeness [%] | 96.6 | 77.2 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.5M ammonium sulfate, 5% v/v 2-Propanol, 0.1M sodium acetate, pH 5.0, 2mM Dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |