3H1L
Chicken cytochrome BC1 complex with ascochlorin bound at QO and QI sites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 174.139, 182.364, 241.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 3.210 |
| R-factor | 0.268 |
| Rwork | 0.267 |
| R-free | 0.29500 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 2BCC AFTER FURTHER REFINEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.968 | 3.260 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 125484 | |
| <I/σ(I)> | 26.5 | 1.37 |
| Completeness [%] | 99.6 | 94.1 |
| Redundancy | 6.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.77 | 277 | Final concentrations before diffusion: 50 mM Cacodylate, 9.4 mM TrisHCl, 10 mM MgCl2, 50 g/L glycerol, 30 g/L PEG 3350Da, 0.23 mM EDTA, 0.47 g/L undecyl maltoside, 31 mM octyl glucoside, pH 6.77, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
