8CBE

SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 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)	0.95373
Spacegroup name	P 21 21 2
Unit cell lengths	179.861, 147.022, 52.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.920 - 3.160
R-factor	0.2282
Rwork	0.226
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q0g
RMSD bond length	0.002
RMSD bond angle	0.518
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]	60.000	3.210
High resolution limit [Å]	3.160	3.160
Rmerge	0.345
Rpim	0.098
Number of reflections	24651	1210
<I/σ(I)>	6.1	0.5
Completeness [%]	100.0	99.2
Redundancy	13.3
CC(1/2)	0.991	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate tribasic dihydrate pH 5.0 and 18% (w/v) PEG 20000