8QRG

SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1

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	2023-08-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 21 21 21
Unit cell lengths	81.514, 104.647, 110.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.690 - 2.300
R-factor	0.1846
Rwork	0.182
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.686
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.088	0.584
Rpim		0.743
Number of reflections	38675	1109
<I/σ(I)>	17.9	1.2
Completeness [%]	91.1
Redundancy	10.5
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2% (v/v) 1,4-Dioxane, 0.1 M Tris pH 8.0 and 15% (w/v) PEG 3350