5KLV
Structure of bos taurus cytochrome bc1 with fenamidone inhibited
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2012-08-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 153.986, 153.986, 592.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.676 - 2.652 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.26900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1sqx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.747 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11rc1_2513: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.152 | 1.684 |
| Number of reflections | 103188 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 14.1 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | 50 mM MOPS 7.2 pH, 20 mM Ammonium acetate, 20% glycerol. Incubation with 2-5 mol excess of Fenamidone. Precipitant 12% PEG4000, 0.5 M KCl, 0.1% DHPC; Protein:PPT ratio 1:0.57 |
