8R80

SARS-CoV-2 Delta RBD in complex with XBB-9 Fab and an anti-Fab 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	2023-11-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97629
Spacegroup name	P 21 21 21
Unit cell lengths	108.538, 126.398, 164.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.640 - 4.030
R-factor	0.2706
Rwork	0.268
R-free	0.31330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.466
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]	66.000	4.090
High resolution limit [Å]	4.030	4.030
Rmerge	0.386
Rpim	0.109
Number of reflections	19426	923
<I/σ(I)>	5.4	0.4
Completeness [%]	100.0	99.1
Redundancy	13.4
CC(1/2)	0.995	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Calcium acetate hydrate, 0.1 M sodium cacodylate pH 6.5, 40% PEG 300.