6AWV
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 | 2013-06-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.519, 52.232, 56.449 |
| Unit cell angles | 90.00, 96.87, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.550 |
| R-factor | 0.22115 |
| Rwork | 0.219 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.784 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.046 | 0.450 |
| Rmeas | 0.071 | 0.633 |
| Rpim | 0.035 | 0.324 |
| Number of reflections | 16860 | 817 |
| <I/σ(I)> | 26.4 | 2.3 |
| Completeness [%] | 99.7 | 97.1 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 200 mM magnesium chloride hexahydrate, 100 mM HEPES, pH 7.5, 25% PEG 3350 |
