5GN9
Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-14 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.218, 221.812, 62.611 |
| Unit cell angles | 90.00, 114.64, 90.00 |
Refinement procedure
| Resolution | 42.190 - 3.200 |
| R-factor | 0.19472 |
| Rwork | 0.192 |
| R-free | 0.25248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vv9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.771 |
| 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 | 0.074 | 0.752 |
| Number of reflections | 32521 | |
| <I/σ(I)> | 8.4 | 1.37 |
| Completeness [%] | 98.8 | 98.7 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG 400, 0.1M IMIDAZOLE, 0.5M POTASSIUM FORMATE |
