8SPI

Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	78.365, 116.205, 108.767
Unit cell angles	90.00, 96.60, 90.00

Refinement procedure

Resolution	77.850 - 3.060
R-factor	0.1927
Rwork	0.190
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajf
RMSD bond length	0.003
RMSD bond angle	0.476
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.045	3.368
High resolution limit [Å]	3.056	3.056
Rmerge	0.121	0.881
Number of reflections	24813	1241
<I/σ(I)>	6.8	1.6
Completeness [%]	86.8
Redundancy	3.9
CC(1/2)	0.741	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	100 mM Tris, pH 8.2, 24% PEG6000, 150 mM sodium chloride, 10% ethylene glycol