5GN7
Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.1000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.312, 222.726, 63.165 |
Unit cell angles | 90.00, 114.70, 90.00 |
Refinement procedure
Resolution | 45.540 - 3.200 |
R-factor | 0.19926 |
Rwork | 0.195 |
R-free | 0.26839 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vv9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.765 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.260 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.079 | 0.661 |
Number of reflections | 31113 | |
<I/σ(I)> | 9 | 1.59 |
Completeness [%] | 94.3 | 92.5 |
Redundancy | 2.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG 400, 0.1M IMIDAZOLE, 0.5M POTASSIUM FORMATE |