9II9

Crystal structure of SARS-CoV-2 neutralizing antibody K4-66

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	147.450, 147.450, 154.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.410 - 2.900
R-factor	0.2637
Rwork	0.262
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	ADDREF
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.410	2.900
High resolution limit [Å]	2.830	2.830
Number of reflections	41387	6519
<I/σ(I)>	13.58
Completeness [%]	100.0
Redundancy	81.5
CC(1/2)	0.998	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M HEPES pH 7.0-7.5, 16.5-19.0% polyethylene glycol 20000