1H1I
CRYSTAL STRUCTURE OF QUERCETIN 2,3-DIOXYGENASE ANAEROBICALLY COMPLEXED WITH THE SUBSTRATE QUERCETN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.298, 55.745, 124.163 |
| Unit cell angles | 90.00, 98.39, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.750 |
| R-factor | 0.1501 * |
| Rwork | 0.148 |
| R-free | 0.18900 * |
| Structure solution method | OTHER |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.230 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.760 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.062 | 0.250 |
| Number of reflections | 148198 | |
| <I/σ(I)> | 28.2 | 3.6 |
| Completeness [%] | 99.4 * | 69.4 |
| Redundancy | 4.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | HANGING DROP, 21-23% 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 | 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 |
