8CBD

SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	242.046, 139.369, 168.528
Unit cell angles	90.00, 115.58, 90.00

Refinement procedure

Resolution	74.690 - 3.520
R-factor	0.2201
Rwork	0.218
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qnw
RMSD bond length	0.003
RMSD bond angle	0.578
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]	75.000	3.580
High resolution limit [Å]	3.520	3.520
Rmerge	0.325
Rpim	0.132
Number of reflections	62592	3098
<I/σ(I)>	4.9	0.4
Completeness [%]	99.7	98.4
Redundancy	7.1
CC(1/2)	0.984	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate tribasic dihydrate pH 5.5 and 22% (w/v) PEG 1000