6GER
Wheat b-amylase, a clinically relevant food allergen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9717 |
Spacegroup name | P 43 |
Unit cell lengths | 93.870, 93.870, 65.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.062 - 2.000 |
Rwork | 0.158 |
R-free | 0.18860 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.542 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.062 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.120 | 0.286 |
Rmeas | 0.139 | 0.286 |
Rpim | 0.069 | 0.168 |
Number of reflections | 38550 | 3721 |
<I/σ(I)> | 6.93 | 3.76 |
Completeness [%] | 92.3 | 96.95 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.986 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293.15 | 25% PEG 3350 100mM bis-Tris pH 5 |