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