6AX0
Structure of PR-10 Allergen Ara h 8.01 in complex with epicatechin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.435, 92.068, 39.489 |
| Unit cell angles | 90.00, 91.79, 90.00 |
Refinement procedure
| Resolution | 46.030 - 2.500 |
| R-factor | 0.22796 |
| Rwork | 0.225 |
| R-free | 0.26855 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.714 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.063 | 0.333 |
| Rmeas | 0.074 | 0.423 |
| Rpim | 0.036 | 0.205 |
| Number of reflections | 9891 | 467 |
| <I/σ(I)> | 29.8 | 3.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 150 mM potassium bromide, 30% PEG 2000 MME |
