6B1D
Structure of PR 10 Allergen Ara h 8.01 with Quercetin
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 MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.938, 52.000, 55.620 |
| Unit cell angles | 90.00, 97.71, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.510 |
| R-factor | 0.23726 |
| Rwork | 0.235 |
| R-free | 0.27278 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.643 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.050 | 0.577 |
| Rmeas | 0.073 | 0.677 |
| Rpim | 0.040 | 0.371 |
| Number of reflections | 16565 | 836 |
| <I/σ(I)> | 20.1 | 2.3 |
| Completeness [%] | 97.4 | 100 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M BIS-TRIS pH 5.5, 2.0 M Ammonium sulfate |
