7ZXU

SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	84.106, 100.436, 105.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.750 - 1.890
R-factor	0.1822
Rwork	0.181
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ps1
RMSD bond length	0.002
RMSD bond angle	0.539
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.000	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.313
Rpim	0.061	0.848
Number of reflections	72125	3536
<I/σ(I)>	7.7	0.5
Completeness [%]	100.0
Redundancy	27.4
CC(1/2)	0.996	0.418

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4% (v/v) 2-propanol, 0.1M BIS-Tris propane, pH9.0, 20% (w/v) PEG monomethyl ether 5000