4REN
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with petunidin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-12 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.903, 55.279, 85.801 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 46.014 - 2.704 |
| R-factor | 0.1844 |
| Rwork | 0.182 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wc4 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.747 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.099 | 0.037 | 0.402 |
| Number of reflections | 12456 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 98.9 | 99.1 | 98.4 |
| Redundancy | 3.7 | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.2M ammonium acetate, 26%(w/v) PEG 4000, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
