1KF6
E. coli Quinol-Fumarate Reductase with Bound Inhibitor HQNO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-12-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.505, 137.836, 273.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.700 |
| R-factor | 0.231 * |
| Rwork | 0.231 |
| R-free | 0.28000 |
| Starting model (for MR) | 1FUM |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.950 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 2.740 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.063 * | 0.287 * |
| Total number of observations | 292370 * | |
| Number of reflections | 93174 * | |
| Completeness [%] | 91.6 | 74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 295 | PEG 5K MME, MgOAc, NaCitrate, EDTA, DTT, HQNO, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | polyoxyethylene getergent C12E9 | 0.7 (%(w/v)) | |
| 3 | 1 | reservoir | PEG5000 MME | 12.5 (%) | |
| 4 | 1 | reservoir | magnesium acetate | 85 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.8 |
| 6 | 1 | reservoir | EDTA | 0.100 (mM) | |
| 7 | 1 | reservoir | dithiothreitol | 0.001 (%) |
