8QRF

SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs

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	2023-09-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 21 21 2
Unit cell lengths	189.106, 146.544, 51.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.920 - 3.700
R-factor	0.2745
Rwork	0.272
R-free	0.31690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.594
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]	63.000	3.760
High resolution limit [Å]	3.700	3.700
Rmerge	0.780
Rpim	0.221
Number of reflections	15935	740
<I/σ(I)>	4.8	0.5
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.948	0.230

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M citric acid pH 3.5 and 28% (w/v) PEG 8000