3H1K
Chicken cytochrome BC1 complex with ZN++ and an iodinated derivative of kresoxim-methyl bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-01-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.283 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 171.717, 181.297, 241.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.000 - 3.480 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.28400 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 1BCC after further correction/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] | 42.610 | 3.550 |
High resolution limit [Å] | 3.480 | 3.480 |
Number of reflections | 87072 | |
<I/σ(I)> | 9.49 | 1.14 |
Completeness [%] | 89.9 | 65.2 |
Redundancy | 8.5 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 20MM KMES PH 6.7, 75MM NACL, 10% GLYCEROL, AND 6% PEG4000. The Kresoxim-methyl derivative WAS ADDED to the protein FROM ETHANOLIC SOLUTION. After verifying good diffraction by these crystals, some were transferred to a drop of mother liquor supplemented with glycerol and ~0.2 mM ZnCl2. After 1 week this crystal was flash-cooled for data collection. During analysis of Zn binding presence of the inhibitor was overlooked, and in the primary citation publication the anomalous signal of I in the inhibitor was mistakenly attributed to a second Zn binding site, Zn02. VAPOR DIFFUSION, SITTING DROP, temperature 277K |