9M2A
The crystal structure of the trypanosome alternative oxidase complexed with a trypanocidal phosphonium derivative (compound1)
This is a non-PDB format compatible entry.
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 | 2017-12-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.98000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.368, 221.727, 62.855 |
| Unit cell angles | 90.00, 114.50, 90.00 |
Refinement procedure
| Resolution | 44.960 - 3.010 |
| R-factor | 0.1975 |
| Rwork | 0.195 |
| R-free | 0.25353 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vva |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.619 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 3.010 | 3.010 |
| Rmerge | 0.071 | 0.673 |
| Number of reflections | 35302 | 1498 |
| <I/σ(I)> | 6.3 | 1.1 |
| Completeness [%] | 92.0 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 30% PEG 400, 0.1 M IMIDAZOLE, 0.5M POTASSIUM FORMATE, PH 7.4 |
