6AWT
Structure of PR 10 Allergen in complex with epicatechin
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 | 2013-06-20 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.451, 62.507, 186.585 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.21683 |
| Rwork | 0.215 |
| R-free | 0.25156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.773 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.468 |
| Rmeas | 0.071 | 0.660 |
| Rpim | 0.026 | 0.281 |
| Number of reflections | 29305 | 1203 |
| <I/σ(I)> | 36.1 | 2.4 |
| Completeness [%] | 98.4 | 83.3 |
| Redundancy | 7.4 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 200 mM NaCl, 100 mM Bis-Tris pH 6.5, PEG 3350 |
