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 (%) |