3W7H
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-015
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 | 2009-10-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.908, 71.720, 129.111 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.860 - 1.670 |
R-factor | 0.1445 |
Rwork | 0.143 |
R-free | 0.17590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w72 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.260 |
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 | 1.700 |
High resolution limit [Å] | 1.670 | 4.530 | 1.670 |
Rmerge | 0.068 | 0.031 | 0.438 |
Number of reflections | 74334 | ||
<I/σ(I)> | 13.1 | 5.57 | |
Completeness [%] | 99.9 | 98.5 | 100 |
Redundancy | 6.7 | 6.4 | 6.6 |
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 |