7T72
Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9536 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 111.294, 111.294, 112.861 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.698 - 3.177 |
| R-factor | 0.2406 |
| Rwork | 0.237 |
| R-free | 0.30840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | generic Fab and RBD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.809 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.910 | 49.910 | 3.400 |
| High resolution limit [Å] | 3.177 | 8.990 | 3.180 |
| Rmerge | 0.079 | 0.035 | 1.137 |
| Rmeas | 0.081 | 0.037 | 1.173 |
| Rpim | 0.020 | 0.010 | 0.283 |
| Total number of observations | 10010 | 40055 | |
| Number of reflections | 13965 | 688 | 2418 |
| <I/σ(I)> | 21.4 | 66.3 | 2.9 |
| Completeness [%] | 99.3 | 99.3 | 96.5 |
| Redundancy | 16.8 | 14.5 | 16.6 |
| CC(1/2) | 0.998 | 0.998 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Equal volumes (2 uL) of protein solution (~5 mg/ml in 25 mM Tris (pH 8.0), 200 mM NaCl) and well solution (100 mM citrate (pH 4.25), 500 mM LiCl, 13% (w/v) PEG6000) were combined |
