8DB4
Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 22S1 and 13T1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 78.796, 92.177, 96.180 |
Unit cell angles | 95.04, 106.03, 108.87 |
Refinement procedure
Resolution | 40.750 - 2.300 |
R-factor | 0.2121 |
Rwork | 0.211 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4LLY & 3OB4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.675 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.078 | 0.772 |
Rmeas | 0.091 | 0.902 |
Rpim | 0.046 | 0.463 |
Number of reflections | 96622 | 4898 |
<I/σ(I)> | 20.8 | 1.6 |
Completeness [%] | 91.4 | 93.1 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.994 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.05 M zinc acetate, 20% PEG3350 |