7COT

Structure of post fusion core of SARS-CoV-2 S2 subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-31
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 3
Unit cell lengths	51.968, 51.968, 116.225
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.360 - 2.160
R-factor	0.2017
Rwork	0.197
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wyy
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.160	2.160
Rmerge	0.088	0.510
Number of reflections	18634	890
<I/σ(I)>	13.55
Completeness [%]	98.4
Redundancy	2.6
CC(1/2)	0.840	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	25% PEG 3350, 0.07M Bis-Tris propane pH 8.5, 0.03M citric acid