7VIB

Crystal structure of human ACE2 and GX/P2V RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	81.672, 120.150, 107.885
Unit cell angles	90.00, 96.61, 90.00

Refinement procedure

Resolution	47.290 - 3.200
R-factor	0.2072
Rwork	0.204
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.107	0.021	0.713
Rmeas	0.125	0.025	0.829
Rpim	0.064	0.013	0.417
Number of reflections	50664	1732	1713
<I/σ(I)>	5.2
Completeness [%]	98.4	97.8	99.9
Redundancy	3.7	3.5	4
CC(1/2)		0.988	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	20%(w/v) PEG3000 100 mM CAPS pH10.5 200 mM Nacl 10 mM CaCl2