1H1M
CRYSTAL STRUCTURE OF QUERCETIN 2,3-DIOXYGENASE ANAEROBICALLY COMPLEXED WITH THE SUBSTRATE KAEMPFEROL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.272, 55.377, 123.929 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.900 |
| Rwork | 0.154 |
| R-free | 0.20000 * |
| Structure solution method | OTHER |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.350 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.085 | 0.378 * |
| Number of reflections | 111775 | |
| <I/σ(I)> | 12 | 2.9 |
| Completeness [%] | 96.7 | 94.8 |
| Redundancy | 2.4 | 2.25 |
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 |
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 |
