8E1G

SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	102.896, 117.944, 150.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.990 - 2.570
R-factor	0.1983
Rwork	0.196
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xe1
RMSD bond length	0.008
RMSD bond angle	0.953
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.790	2.610
High resolution limit [Å]	2.570	2.570
Rmerge	0.080	0.918
Number of reflections	58806	2888
<I/σ(I)>	16.1	2.1
Completeness [%]	99.4	99.6
Redundancy	6.7	7.1
CC(1/2)	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 uL 7.4 mg/mL protein; 1 uL 23%w/v PEG 3350, 230 mM Ammonium fluoride