1GP6
Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin (with 30 min exposure to O2)
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 | 2001-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.258, 72.385, 87.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.750 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gp4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| 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] | 25.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.068 | 0.274 |
| Total number of observations | 335364 * | |
| Number of reflections | 39711 | |
| <I/σ(I)> | 14.9 | 4.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.8 | 3.8 |
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 |
