9ATM

SARS-CoV-2 EG.5 RBD bound to the VIR-7229 and the S2H97 Fab fragments

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.195
Spacegroup name	P 21 21 21
Unit cell lengths	48.728, 149.698, 167.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.780 - 1.900
R-factor	0.1956
Rwork	0.194
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.845
Data reduction software	XDS (June 30, 2023)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	1.920
High resolution limit [Å]	1.900	1.900
Rmerge	0.138
Number of reflections	92795	3168
<I/σ(I)>	12.8	0.6
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	0.999	0.323

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M TRIS pH 8, 22% w/v PEG-MME 2000, and 20 mM NiCl2