3VVA
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative
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 | 2010-07-16 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.308, 219.682, 63.481 |
| Unit cell angles | 90.00, 114.89, 90.00 |
Refinement procedure
| Resolution | 39.810 - 2.590 |
| R-factor | 0.21593 |
| Rwork | 0.214 |
| R-free | 0.25575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vv9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.321 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.124 | 0.614 |
| Number of reflections | 54110 | |
| <I/σ(I)> | 8.6 | 1.3 |
| Completeness [%] | 93.4 | 85.3 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 30% PEG 400, 0.1M IMIDAZOLE, 0.5M POTASSIUM FORMATE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
