7SN1
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-02-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.736, 52.369, 71.394 |
| Unit cell angles | 90.00, 113.69, 90.00 |
Refinement procedure
| Resolution | 55.640 - 1.467 |
| R-factor | 0.1793 |
| Rwork | 0.178 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | composite model generated from heavy and light chains from PDB codes 4DGV and 4PTU respectively. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS (20200131) |
| Data scaling software | XDS (20200131) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 1.560 |
| High resolution limit [Å] | 1.467 | 1.467 |
| Rmerge | 0.059 | 0.934 |
| Rmeas | 0.077 | 1.217 |
| Number of reflections | 137494 | 21177 |
| <I/σ(I)> | 8.45 | 1.14 |
| Completeness [%] | 98.9 | 96.2 |
| Redundancy | 2.19 | 2.17 |
| CC(1/2) | 0.997 | 0.336 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 293 | 18% PEG 8000, 0.02 M Magnesium chloride hexahydrate, and 0.1 M Tris pH 8.9 |
