3C3V
Crystal structure of peanut major allergen ara h 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-07-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 144.929, 144.929, 86.924 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.630 - 1.730 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.24800 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.104 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.117 | |
| Number of reflections | 55487 | |
| <I/σ(I)> | 14.4 | 1.61 |
| Completeness [%] | 98.8 | 90.7 |
| Redundancy | 10.2 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.1 M Sodium Acetate trihydrate, 8% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
