4D6U
Cytochrome bc1 bound to the 4(1H)-pyridone GSK932121
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 | 2013-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 |
| Unit cell lengths | 129.490, 129.490, 719.936 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 4.090 |
| R-factor | 0.22573 |
| Rwork | 0.223 |
| R-free | 0.27106 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.454 |
| 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 | 4.250 |
| High resolution limit [Å] | 4.090 | 4.090 |
| Rmerge | 0.150 | 0.510 |
| Number of reflections | 42955 | |
| <I/σ(I)> | 6 | 1.55 |
| Completeness [%] | 80.7 | 51.5 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | SITTING DROP VAPOUR DIFFUSION 50 MM KPI, PH 6.8, 100 MM NACL, 3 MM NAN3, 10 - 13 % PEG4000,1.4% HECAMEG |
