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 |