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 |