3TGU
Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-06 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 172.678, 183.305, 241.944 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.980 - 2.700 |
R-factor | 0.258 |
Rwork | 0.258 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l71 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 192851 | |
<I/σ(I)> | 10.97 | 0.98 |
Completeness [%] | 92.4 | 55.2 |
Redundancy | 3.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.77 | 278 | 50 mm cacodylate, 9.4 mM TrisHCl, 30 mM K-MES, 1.8 mM K-MOPS, 30 mM NaCl, 31 mM KCl, 10 mM MgCl2, 91 g/l glycerol, 30 g/l PEG 4kDa, 0.9 mM NaN3, 0.05 mM EDTA, 0.47g/l undecyl maltoside, 31 mM octyl glucoside, pH 6.77, VAPOR DIFFUSION, HANGING DROP, temperature 278K |