4MA6
Crystal structure of Ara h 8 with Epicatechin bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.647, 88.957, 42.657 |
| Unit cell angles | 90.00, 96.58, 90.00 |
Refinement procedure
| Resolution | 36.800 - 2.000 |
| R-factor | 0.19453 |
| Rwork | 0.192 |
| R-free | 0.24768 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4m9b |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.891 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.566 |
| Number of reflections | 20539 | |
| <I/σ(I)> | 25 | 2.25 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris (8.5), 0.2 M lithium sulfate, 30% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
