8WFM

Crystal structure of Omicron BA.1 in complex with a neutralizing antibody scFv T11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-08-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97903
Spacegroup name	C 2 2 21
Unit cell lengths	55.410, 172.490, 487.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.610 - 2.990
R-factor	0.2178
Rwork	0.215
R-free	0.26470
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.190	3.070
High resolution limit [Å]	2.990	2.990
Number of reflections	48291	3539
<I/σ(I)>	7.8
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.989	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.05M Citric acid,0.05M BIS-TRIS propane/PH5.0,16%Polyethylene glycol 3350