6HAW
Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 212.690, 212.690, 347.066 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 92.100 - 3.450 |
R-factor | 0.2117 |
Rwork | 0.210 |
R-free | 0.24220 |
Starting model (for MR) | 5okd |
RMSD bond length | 0.008 |
RMSD bond angle | 1.403 |
Data reduction software | MOSFLM (7.2.2) |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.100 | 3.550 |
High resolution limit [Å] | 3.450 | 3.450 |
Rmerge | 0.161 | 1.125 |
Rmeas | 0.179 | 1.253 |
Rpim | 0.074 | 0.534 |
Number of reflections | 54895 | 557989 |
<I/σ(I)> | 10.1 | 2.1 |
Completeness [%] | 90.2 | 91.4 |
Redundancy | 10.2 | 10.1 |
CC(1/2) | 0.998 | 0.315 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | Protein 40mg/mL with 1.6% HECAMEG; reservoir solution 50mM KPi pH 6.8, 100mM NaCl, 3mM NaN3, 10-12% PEG4000. |