6ZFS
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 209.560, 209.560, 343.348 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 90.740 - 3.500 |
| R-factor | 0.2186 |
| Rwork | 0.217 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5okd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.437 |
| Data reduction software | iMOSFLM (7.2.2) |
| Data scaling software | Aimless (0.5.32) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.740 | 90.740 | 3.600 |
| High resolution limit [Å] | 3.500 | 14.850 | 3.500 |
| Rmerge | 0.197 | 0.045 | 0.874 |
| Rmeas | 0.219 | 0.055 | 0.966 |
| Rpim | 0.091 | 0.030 | 0.396 |
| Total number of observations | 296628 | 3954 | 24627 |
| Number of reflections | 55066 | 832 | 4491 |
| <I/σ(I)> | 7 | 21 | 1.8 |
| Completeness [%] | 97.4 | 93.1 | 98.7 |
| Redundancy | 5.4 | 4.8 | 5.5 |
| CC(1/2) | 0.968 | 0.960 | 0.543 |
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 |
