8ASY

SARS-CoV-2 Omicron BA.2.75 RBD in complex with ACE2

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	2022-08-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 41 21 2
Unit cell lengths	105.261, 105.261, 220.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.180 - 2.850
R-factor	0.2195
Rwork	0.217
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zf7
RMSD bond length	0.002
RMSD bond angle	0.433
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.200	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.443
Rpim	0.086
Number of reflections	29749	1411
<I/σ(I)>	7.6	0.4
Completeness [%]	99.8	96.9
Redundancy	26.8
CC(1/2)	0.971	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1% (w/v) n-Octyl-b-D-glucoside, 0.1 M Sodium citrate tribasic dihydrate pH 5.5 and 22% (w/v) PEG 3350