8GB8

Crystal structure of SARS-CoV-2 BA.2 receptor binding domain in complex with neutralizing antibody 20A7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	44.544, 132.184, 170.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 2.300
R-factor	0.201
Rwork	0.200
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.543
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.990	0.061	1.215
Total number of observations	541836
Number of reflections	86216	4344	4136
<I/σ(I)>	5.8
Completeness [%]	99.4	99.8	94.1
Redundancy	6.3	6.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M HEPES pH 7.5, 10% (v/v) glycerol, 5% (w/v) polyethylene glycol 3000, and 30% (v/v) polyethylene glycol 400