1JUH
Crystal Structure of Quercetin 2,3-dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-27 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.550, 55.780, 123.680 |
| Unit cell angles | 90.00, 98.31, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.600 |
| R-factor | 0.162 |
| Rwork | 0.162 |
| R-free | 0.18900 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.480 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 1.620 |
| High resolution limit [Å] | 1.600 * | 1.580 |
| Rmerge | 0.041 * | 0.383 * |
| Number of reflections | 234572 | |
| <I/σ(I)> | 11.6 | 1.5 |
| Completeness [%] | 95.0 * | 90 * |
| Redundancy | 9.6 * | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * | HANGING DROP, 22-26% PEG 8000, 200 MM AMMONIUM SULFATE, 100 MM CITRATE BUFFER, PH 5.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12-15 (mg/ml) | |
| 2 | 1 | drop | MES | 20 (mM) | pH6.0 |
| 3 | 1 | reservoir | PEG8000 | 22-26 (%(w/v)) | |
| 4 | 1 | reservoir | ammonium sulfate | 200 (mM) | |
| 5 | 1 | reservoir | citrate | 100 (mM) | pH5.2 |
