8BBO

SARS-CoV-2 Delta-RBD complexed with BA.2-36 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	2022-10-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 41
Unit cell lengths	99.141, 99.141, 86.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.750
R-factor	0.2256
Rwork	0.224
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ps6
RMSD bond length	0.002
RMSD bond angle	0.467
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]	55.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.460
Rpim	0.090
Number of reflections	21850	1103
<I/σ(I)>	7.5	0.4
Completeness [%]	100.0
Redundancy	26.8
CC(1/2)	0.994	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2% (v/v) PEG400, 0.1M imidazole pH7.0 and 24% (w/v) PEG MME 5000.