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 |
