4XUW
Structure of the hazelnut allergen, Cor a 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.678, 30.816, 56.184 |
| Unit cell angles | 90.00, 108.91, 90.00 |
Refinement procedure
| Resolution | 23.830 - 1.100 |
| R-factor | 0.14419 |
| Rwork | 0.142 |
| R-free | 0.17696 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2alg |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.349 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.052 | 0.157 |
| Number of reflections | 47711 | |
| <I/σ(I)> | 37.4 | 8.51 |
| Completeness [%] | 90.7 | 49.1 |
| Redundancy | 7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 295 | 0.49 M sodium phosphate monobasic monohydrate, 0.91 M potassium phosphate dibasic, pH 6.9 |
