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 |