8XZ0

Crystal complex structure of SARS-CoV-2 S bound to human ezrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 43
Unit cell lengths	77.507, 77.507, 55.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.662 - 2.035
R-factor	0.217
Rwork	0.215
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.936
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.080
Number of reflections	18767	2092
<I/σ(I)>	17.8
Completeness [%]	100.0
Redundancy	16.7
CC(1/2)	0.850	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	289	0.22 M Magnesium acetate and 19% PEG 3350,