8S6M

SARS-CoV-2 BQ.1.1 RBD bound to the S2V29 and the S2H97 Fab fragments

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-03-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	148.175, 48.099, 166.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 1.670
R-factor	0.1849
Rwork	0.184
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.858
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.065
Number of reflections	138934	13733
<I/σ(I)>	15.5	0.7
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.999	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Tris pH 8.5, 20% PEG-MME 2000, and 10 mM NiCl2