1GQG
Quercetin 2,3-dioxygenase in complex with the inhibitor diethyldithiocarbamate
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 | 1999-04-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.939, 55.646, 123.863 |
| Unit cell angles | 90.00, 98.26, 90.00 |
Refinement procedure
| Resolution | 19.920 - 1.700 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.18400 * |
| Structure solution method | OTHER |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.062 | 0.173 |
| Total number of observations | 637059 * | |
| Number of reflections | 148198 | |
| <I/σ(I)> | 18.1 | 4.5 |
| Completeness [%] | 91.1 * | 69.4 |
| Redundancy | 4.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 * | HANGING DROP, 21-23% PEG 8000, 200 MM AMMONIUM SULFATE, 100 MM CITRATE BUFFER, PH 5.2, 10 MM NA DIETHYLDITHIOCARBAMATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | MES | 50 (mM) | pH6.0 |
| 3 | 1 | reservoir | PEG8000 | 21-23 (%(w/v)) | |
| 4 | 1 | reservoir | ammonium sulfate | 200 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.2 |
| 6 | 1 | reservoir | DDC | 10 (mM) |
