7XBY

The crystal structure of SARS-CoV-2 Omicron BA.1 variant RBD in complex with equine ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-10
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 31 2 1
Unit cell lengths	113.975, 113.975, 152.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.900 - 2.850
R-factor	0.2298
Rwork	0.228
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.003
RMSD bond angle	0.581
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.960
High resolution limit [Å]	2.850	2.850
Rmerge	0.160	1.252
Number of reflections	27326	2682
<I/σ(I)>	13.1	1.4
Completeness [%]	99.7
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Sodium bromide, 0.1M Bis-Tris propane 8.5, 20 % (w/v) PEG 3350