9CMC
Crystal structure of the peanut allergen Ara h 2 with two human derived Fab antibodies 22S1 and 23P34
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 | 2022-07-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.906, 165.009, 164.642 |
Unit cell angles | 90.00, 105.93, 90.00 |
Refinement procedure
Resolution | 49.530 - 2.950 |
R-factor | 0.2142 |
Rwork | 0.213 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.082 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.100 | 1.095 |
Rmeas | 0.109 | 1.185 |
Rpim | 0.042 | 0.448 |
Number of reflections | 97947 | 4880 |
<I/σ(I)> | 8.4 | 1.5 |
Completeness [%] | 99.3 | |
Redundancy | 6.6 | |
CC(1/2) | 0.992 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M BisTRisPropane pH 7.5, 0.2M potassium sodium tartrate tetrahydrate, 20% PEG3350 |