6AWU
Structure of PR 10 Allergen Ara h 8.01 in complex with caffeic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-18 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.919, 60.798, 186.268 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.050 |
| R-factor | 0.21139 |
| Rwork | 0.209 |
| R-free | 0.25904 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.577 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.078 | 0.776 |
| Rmeas | 0.129 | 0.905 |
| Rpim | 0.047 | 0.324 |
| Number of reflections | 12614 | 597 |
| <I/σ(I)> | 21.8 | 2.7 |
| Completeness [%] | 98.8 | 98.5 |
| Redundancy | 7.5 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 200 mM NaCl, 100 mM HEPES, pH 7.5, 25% PEG 3350 |
