6AWX
Structure of PR-10 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 | 2014-06-30 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 60.426, 55.143, 87.400 |
| Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.700 |
| R-factor | 0.21649 |
| Rwork | 0.214 |
| R-free | 0.27107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.808 |
| 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 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.081 | 0.507 |
| Rmeas | 0.125 | 0.705 |
| Rpim | 0.065 | 0.362 |
| Number of reflections | 8130 | 423 |
| <I/σ(I)> | 15.9 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 56 mM sodium phosphate monobasic, 1.3 M monobasic potassium phosphate |
