8IF2

Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BQ.1.1 variant spike protein in complex with its receptor ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 32 1 2
Unit cell lengths	120.052, 120.052, 167.416
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.170 - 2.780
R-factor	0.2019
Rwork	0.200
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.547
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.950
High resolution limit [Å]	2.780	2.780
Number of reflections	34681	10682
<I/σ(I)>	14.4
Completeness [%]	99.7
Redundancy	20.7
CC(1/2)	0.998	0.418

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Sodium acetate, Ammonium acetate, PEG4000