7EFP

Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	139.596, 139.596, 155.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.922 - 2.698
R-factor	0.1859
Rwork	0.184
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.690	2.690
Rmerge	0.155	1.297
Number of reflections	42978	4234
<I/σ(I)>	19.6
Completeness [%]	100.0
Redundancy	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.6 M Ammonium sulfate, 0.1 M MES pH6.5, 10 % v/v 1,4-Dioxane