7C8J

Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-05-10
Detector	SDMS
Wavelength(s)	0.97853
Spacegroup name	I 4 2 2
Unit cell lengths	163.197, 163.197, 211.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 3.180
R-factor	0.2211
Rwork	0.218
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.002
RMSD bond angle	0.682
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	48.100
High resolution limit [Å]	3.180	3.180
Rmerge	0.163	1.790
Number of reflections	22038
<I/σ(I)>	15.6
Completeness [%]	99.9
Redundancy	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Succinic acid pH 7.0, 0.1 M BICINE pH 8.5, 30% v/v Polyethylene glycol monomethyl ether 550