8CMA

SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab

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	2023-02-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	195.782, 85.119, 56.974
Unit cell angles	90.00, 102.03, 90.00

Refinement procedure

Resolution	47.870 - 3.290
R-factor	0.2325
Rwork	0.231
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.437
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]	48.000	3.350
High resolution limit [Å]	3.290	3.290
Rmerge	0.298
Rpim	0.121
Number of reflections	13926	680
<I/σ(I)>	5.6	0.5
Completeness [%]	98.9
Redundancy	7
CC(1/2)	0.982	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium citrate tribasic dihydrate pH 5.5, 18% w/v Polyethylene glycol 3,350