7TN0

SARS-CoV-2 Omicron RBD in complex with human ACE2 and S304 Fab and S309 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2021-12-23
Detector	RDI CMOS_8M
Wavelength(s)	1.07216
Spacegroup name	P 1 21 1
Unit cell lengths	78.280, 183.650, 194.550
Unit cell angles	90.00, 95.98, 90.00

Refinement procedure

Resolution	48.910 - 2.850
R-factor	0.2322
Rwork	0.230
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jx3
RMSD bond length	0.003
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.900
High resolution limit [Å]	2.850	2.850
Number of reflections	121127	6212
<I/σ(I)>	5.6
Completeness [%]	96.7
Redundancy	5.8
CC(1/2)	0.975	0.209

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% v/v Ethylene glycol, 10% w/v PEG 8000, 0.1 M Tris (base)/BICINE pH 8.5, 0.1 M NDSB-256