2P3X
Crystal structure of Grenache (Vitis vinifera) Polyphenol Oxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2006-06-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.030, 120.770, 140.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.060 - 2.200 |
| R-factor | 0.20572 |
| Rwork | 0.201 |
| R-free | 0.25205 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Polyphenol oxidase of sweet potato (1BT1) |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.545 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.487 | |
| Number of reflections | 26382 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 97.8 | |
| Redundancy | 6.96 | 5.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
