1GP4
Anthocyanidin synthase from Arabidopsis thaliana (selenomethionine substituted)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91841,0.97855,0.97885 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.073, 72.993, 87.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23300 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | 0.251 |
| Total number of observations | 348658 * | |
| Number of reflections | 23462 | |
| <I/σ(I)> | 9.8 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 |
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 | 30 (%(w/v)) | |
| 2 | 1 | reservoir | MES | 50 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 4 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 5 | 1 | reservoir | 5 (mM) | ||
| 6 | 1 | reservoir | potassium alpha-ketoglutarate | 10 (mM) | |
| 7 | 1 | reservoir | sodium ascorbate | 10 (mM) | pH6.5 |
