1GP5
Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.033, 74.362, 88.109 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gp4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.300 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.074 | 0.280 |
| Total number of observations | 243242 * | |
| Number of reflections | 20932 | |
| <I/σ(I)> | 13 | 3.9 |
| Completeness [%] | 98.8 | 99.2 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | Turnbull, J.J., (2001) Acta Crystallogr.,Sect.D, D57, 425. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 MME | 18 (%(w/v)) | |
| 2 | 1 | reservoir | MES | 50 (mM) | |
| 3 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 4 | 1 | reservoir | 2 (mM) | ||
| 5 | 1 | reservoir | potassium alpha-ketoglutarate | 10 (mM) | |
| 6 | 1 | reservoir | sodium ascorbate | 10 (mM) | |
| 7 | 1 | reservoir | DHQ | 10 (mM) | |
| 8 | 1 | reservoir | 10 (%(v/v)) | pH6.5 |
