8SPH

Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-14
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	79.740, 116.369, 111.658
Unit cell angles	90.00, 92.81, 90.00

Refinement procedure

Resolution	111.520 - 2.710
R-factor	0.2221
Rwork	0.219
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajf
RMSD bond length	0.004
RMSD bond angle	0.624
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASES
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.524	3.035
High resolution limit [Å]	2.706	2.706
Rmerge	0.152	0.930
Rmeas	0.174	1.071
Rpim	0.085	0.525
Number of reflections	24963	1248
<I/σ(I)>	5.3	1.7
Completeness [%]	85.5
Redundancy	4.1
CC(1/2)	0.993	0.549

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