7EKH

Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	103.639, 103.639, 227.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.390 - 2.400
R-factor	0.2107
Rwork	0.210
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.005
RMSD bond angle	0.742
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	49236	46716
<I/σ(I)>	19.826
Completeness [%]	99.8
Redundancy	18.7
CC(1/2)	0.998	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M MES, pH 6.5, 10% w/v PEG 5000 MME, 12% v/v1-Propanol