3CWB
Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.741439, 1.239798, 0.920205 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 174.778, 182.663, 242.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.980 - 3.510 |
| R-factor | 0.285 |
| Rwork | 0.285 |
| R-free | 0.31900 |
| Structure solution method | Rigid Body Refinement |
| Starting model (for MR) | 1BCC AFTER FURTHER REFINEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 3.560 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.168 | 0.830 |
| Number of reflections | 96135 | |
| <I/σ(I)> | 5 | 0.8 |
| Completeness [%] | 92.1 | 78.9 |
| Redundancy | 2.9 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 20MM KMES, 75MM NACL, 10% GLYCEROL, 6% PEG4000. Crystal soaked with the inhibitor and RbBr salt, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
