7RPV

Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	132.666, 136.307, 132.673
Unit cell angles	90.00, 92.51, 90.00

Refinement procedure

Resolution	47.920 - 3.540
R-factor	0.2457
Rwork	0.243
R-free	0.29180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r4l 6m0j
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.610
High resolution limit [Å]	3.540	9.610	3.540
Rmerge	0.220	0.053	1.330
Rmeas	0.262	0.064	1.611
Rpim	0.140	0.035	0.896
Number of reflections	56056	2867	2771
<I/σ(I)>	3.5
Completeness [%]	97.7	96.5	96.8
Redundancy	3.4	3.4	3
CC(1/2)		0.940	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.2 M ammonium sulfate, 0.1 M MES pH6.5, 20% PEG8000