6AWY
Structure of peanut allergen Ara h 8.01.
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 | 2012-12-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.858, 103.209, 49.292 |
| Unit cell angles | 90.00, 103.64, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.20879 |
| Rwork | 0.206 |
| R-free | 0.25630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.614 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | 0.483 |
| Rmeas | 0.086 | 0.598 |
| Rpim | 0.044 | 0.310 |
| Number of reflections | 20403 | 1022 |
| <I/σ(I)> | 24.2 | 2.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate, 34% PEG 4000 |
