8GPY

Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	122.863, 92.092, 89.270
Unit cell angles	90.00, 92.40, 90.00

Refinement procedure

Resolution	49.600 - 2.510
R-factor	0.2173
Rwork	0.215
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nik
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.125	0.071	2.060
Rmeas	0.136	0.077	2.236
Rpim	0.053	0.031	0.860
Number of reflections	48308	1767	1731
<I/σ(I)>	6.3
Completeness [%]	100.0	99.8	100
Redundancy	6.7	6.4	6.6
CC(1/2)		0.984	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Potassium formate, PEG 3350