8XY9

Crystal structure of SARS-CoV-2 BF.7 RBD and human ACE2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	73.467, 152.681, 116.695
Unit cell angles	90.00, 103.06, 90.00

Refinement procedure

Resolution	40.300 - 3.640
R-factor	0.2175
Rwork	0.215
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.889
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.770
High resolution limit [Å]	3.640	3.640
Number of reflections	27987	2724
<I/σ(I)>	8.4
Completeness [%]	99.0
Redundancy	6.7
CC(1/2)	0.988	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M HEPES, pH 7.0,10%w/v Polyethylene glycol 6000.