1KFY
QUINOL-FUMARATE REDUCTASE WITH QUINOL INHIBITOR 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-04-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.147, 137.814, 270.986 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.600 |
| R-factor | 0.264 * |
| Rwork | 0.264 |
| R-free | 0.30100 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| Starting model (for MR) | 1kf6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.900 |
| 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 | 3.660 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.104 * | 0.306 * |
| Total number of observations | 124660 * | |
| Number of reflections | 38919 | |
| <I/σ(I)> | 12 | 4.1 |
| Completeness [%] | 91.1 | 90.8 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 295 | PEG 5K MME, MgOAc, EDTA, Na Citrate, DTT, DNP-19, pH 5.8, 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 (%) |
