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 |