5E1R
Crystal structure of pecan (carya illinoinensis) vicilin, a new food allergen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.691, 151.610, 342.782 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.598 - 2.651 |
| R-factor | 0.2193 |
| Rwork | 0.218 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.795 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 7.190 | 2.650 |
| Rmerge | 0.200 | 0.150 | 0.495 |
| Total number of observations | 422187 | ||
| Number of reflections | 61694 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 92.7 | 100 | 58.5 |
| Redundancy | 6.8 | 13.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M magnesium acetate tetrahydrate, 0.1M Sodium cacodylat trihydrate 30%(v/v) MPD |
