7XB1

Crystal structure of Omicron BA.3 RBD complexed with hACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	101.050, 101.050, 222.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.700
R-factor	0.2158
Rwork	0.214
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.003
RMSD bond angle	0.519
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	32546	3164
<I/σ(I)>	16.6
Completeness [%]	99.8
Redundancy	10.9
CC(1/2)	0.998	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Imidazole pH7.0, 12% w/v Polyethylene glycol 20000