4X9U
Crystal structure of the kiwifruit allergen Act d 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.392, 60.417, 55.601 |
| Unit cell angles | 90.00, 95.85, 90.00 |
Refinement procedure
| Resolution | 36.160 - 2.100 |
| R-factor | 0.17073 |
| Rwork | 0.168 |
| R-free | 0.22291 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1ARB |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.802 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.130 | 0.750 |
| Number of reflections | 20290 | |
| <I/σ(I)> | 15.4 | 2.09 |
| Completeness [%] | 99.8 | 96.6 |
| Redundancy | 5.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M HEPES, pH 7.5, 25% PEG 3350 hung over a reservoir of 26% PEG 400. |
