4U3F
Cytochrome bc1 complex from chicken with designed inhibitor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.91810 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 167.251, 181.483, 239.631 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.996 - 3.231 |
R-factor | 0.2374 |
Rwork | 0.236 |
R-free | 0.28360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tgu |
RMSD bond length | 0.003 |
RMSD bond angle | 0.682 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: dev_1745)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 3.290 |
High resolution limit [Å] | 3.230 | 3.230 |
Number of reflections | 115416 | |
<I/σ(I)> | 6.49 | 1.14 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.77 | 278 | CRYSTALLIZATION CONDITIONS: 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, TEMPERATURE 278K |