6ZFT
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68
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 | 212.360, 212.360, 345.914 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.920 - 3.300 |
| R-factor | 0.2155 |
| Rwork | 0.214 |
| R-free | 0.24420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5okd |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.463 |
| Data reduction software | MOSFLM (7.2.2) |
| Data scaling software | Aimless (0.5.32) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.950 | 91.950 | 3.410 |
| High resolution limit [Å] | 3.300 | 13.200 | 3.300 |
| Rmerge | 0.171 | 0.034 | 1.402 |
| Rmeas | 0.181 | 0.037 | 1.487 |
| Rpim | 0.057 | 0.013 | 0.473 |
| Total number of observations | 431846 | 6956 | 40480 |
| Number of reflections | 48418 | 789 | 4557 |
| <I/σ(I)> | 6.9 | 11.9 | 2.3 |
| Completeness [%] | 70.4 | 64.3 | 73 |
| Redundancy | 8.9 | 8.8 | 8.9 |
| CC(1/2) | 0.998 | 0.999 | 0.357 |
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, 10-13% PEG4000 |
