4D6T
Cytochrome bc1 bound to the 4(1H)-pyridone GW844520
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 |
| Unit cell lengths | 129.896, 129.896, 722.152 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.570 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.25156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.595 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.100 | 3.680 |
| High resolution limit [Å] | 3.560 | 3.550 |
| Rmerge | 0.240 | 0.900 |
| Number of reflections | 81351 | |
| <I/σ(I)> | 7 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 50 MM POTASSIUM PHOSPHATE BUFFER PH 6.8, 12% P4000, 1.4% HECAMEG |
