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 |