7XWA

Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	85.510, 130.010, 101.880
Unit cell angles	90.00, 92.64, 90.00

Refinement procedure

Resolution	47.390 - 3.360
R-factor	0.2337
Rwork	0.231
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wbp
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4.)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.390	3.570
High resolution limit [Å]	3.360	3.360
Number of reflections	31338	4810
<I/σ(I)>	6.7
Completeness [%]	98.8
Redundancy	3.4
CC(1/2)	0.997	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M MES pH6.5, 11-13% PEG6000, 5% MPD