8VYA

SARS-CoV-2 Omicron Variant Spike Glycoprotein Fusion Core (Q954H)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920078
Spacegroup name	P 21 21 2
Unit cell lengths	51.375, 56.686, 84.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.880 - 2.120
R-factor	0.2191
Rwork	0.216
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.552
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.347	2.237
High resolution limit [Å]	2.119	2.119
Rmerge	0.210	1.571
Number of reflections	12464	624
<I/σ(I)>	6.2	1.2
Completeness [%]	92.5	50.1
Redundancy	7.3	6.8
CC(1/2)	0.997	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	20 mM 1,6-hexanediol; 20 mM 1 butanol; 20 mM 1,2-propanediol; 20 mM 2-propanol; 20 mM 1,4-butanediol; 20 mM 1,3-propanediol; 12.5% PEG1000; 12.5% PEG3350; 12.5% 2-methyl-2,4-pentanediol; 100 mM imidazole/MES monohydrate buffer (pH 6.5)