6AWS
Structure of PR 10 Allergen Ara h 8.01 in complex with quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.568, 52.318, 57.497 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.22047 |
| Rwork | 0.218 |
| R-free | 0.26996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.512 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.048 | 0.439 |
| Rmeas | 0.065 | 0.601 |
| Rpim | 0.032 | 0.293 |
| Number of reflections | 22351 | 1007 |
| <I/σ(I)> | 37.9 | 2.3 |
| Completeness [%] | 98.4 | 88.3 |
| Redundancy | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 100 mM Tris, pH 8.0, 200 mM Lithium sulfate, 34% PEG 4000 |
