7PKI

Crystal structure of human ACE2 bound to the spike receptor-binding domain from a cave bat sarbecovirus closely related to SARS-CoV-2.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 65 2 2
Unit cell lengths	341.535, 341.535, 68.153
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.296 - 2.942
R-factor	0.21501689136
Rwork	0.214
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.005
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	XDS
Phasing software	autoBUSTER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	3.047
High resolution limit [Å]	2.942	2.942
Rmerge	0.050	4.562
Number of reflections	43645	614
<I/σ(I)>	11.42
Completeness [%]	87.0
Redundancy	2
CC(1/2)	0.996	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	0.2 M Lithium sulfate, 0.1 M Tris 8.5, 30 % w/v PEG 4000