6ZFU
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor RKA066
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 210.740, 210.740, 343.935 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 89.850 - 3.500 |
| R-factor | 0.2218 |
| Rwork | 0.221 |
| R-free | 0.23820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5okd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.505 |
| Data reduction software | iMOSFLM (7.2.2) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.850 | 89.850 | 3.600 |
| High resolution limit [Å] | 3.500 | 15.260 | 3.500 |
| Rmerge | 0.271 | 0.056 | 1.416 |
| Rmeas | 0.288 | 0.061 | 1.503 |
| Rpim | 0.093 | 0.024 | 0.489 |
| Total number of observations | 515936 | 5668 | 38815 |
| Number of reflections | 57461 | 833 | 4389 |
| <I/σ(I)> | 5 | 16.1 | 1.3 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 9 | 6.8 | 8.8 |
| CC(1/2) | 0.987 | 0.992 | 0.450 |
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 |
