7W6U

Structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor equine ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	I 41 2 2
Unit cell lengths	195.570, 195.570, 149.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.210 - 2.560
R-factor	0.195
Rwork	0.193
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.004
RMSD bond angle	0.732
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.390	2.630
High resolution limit [Å]	2.560	2.560
Rmerge	0.172
Rmeas	0.175
Rpim	0.034	0.450
Number of reflections	46770	3434
<I/σ(I)>	17.8
Completeness [%]	99.9	100
Redundancy	26.8	26.6
CC(1/2)	0.999	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10% (w/v) PEG 1000, 10% (w/v) PEG 8000