7WBP

Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor human 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	2021-12-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	104.238, 104.238, 227.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.620 - 3.000
R-factor	0.1827
Rwork	0.181
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.003
RMSD bond angle	0.619
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	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.190	1.070
Rmeas	0.199	1.142
Rpim	0.070	0.404
Number of reflections	25810	2509
<I/σ(I)>	10.6	1.8
Completeness [%]	99.9	100
Redundancy	7.8	7.7
CC(1/2)	0.992	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M MES pH 6.5,10%w/v PEG 5000 MME,12% v/v 1-propanol