9Q1L
Crystal structure of the walnut allergen Jug r 2 bound to the human-derived Fab 6D12
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 | 2022-10-29 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.541, 49.508, 111.093 |
| Unit cell angles | 90.00, 104.73, 90.00 |
Refinement procedure
| Resolution | 42.410 - 1.560 |
| R-factor | 0.1679 |
| Rwork | 0.168 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.876 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 145193 | 7254 |
| <I/σ(I)> | 5.4 | 1.5 |
| Completeness [%] | 98.6 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.987 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1M sodium citrate, 20% PEG 4000, 5% isopropanol |
