4PD4
Structural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 105 |
| Detector technology | PIXEL |
| Collection date | 2012-06-25 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 212.260, 150.880, 143.090 |
| Unit cell angles | 90.00, 115.18, 90.00 |
Refinement procedure
| Resolution | 24.989 - 3.040 |
| R-factor | 0.2691 |
| Rwork | 0.268 |
| R-free | 0.29660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.472 |
| Data scaling software | XDS |
| Phasing software | PHASER (phenix: 1.8_1069) |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.000 |
| High resolution limit [Å] | 3.040 |
| Number of reflections | 77221 |
| <I/σ(I)> | 15.1 |
| Completeness [%] | 98.2 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277.2 | polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone |
