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 |
