3SMH
Crystal structure of major peanut allergen Ara h 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.492, 89.008, 158.966 |
| Unit cell angles | 90.00, 107.15, 90.00 |
Refinement procedure
| Resolution | 14.996 - 2.433 |
| R-factor | 0.2036 |
| Rwork | 0.202 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.072 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.460 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Number of reflections | 122061 | |
| Completeness [%] | 99.0 | 93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1M sodium citrate pH 5.6, 0.1M NaCl, 15% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
