9JTE

Crystal structure of SARS-CoV-2 receptor binding domain complexed with fox ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 21 21 21
Unit cell lengths	149.976, 192.714, 194.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 3.660
R-factor	0.2292
Rwork	0.228
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.735
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	3.790
High resolution limit [Å]	3.660	3.660
Number of reflections	30800	2629
<I/σ(I)>	8.63
Completeness [%]	97.8
Redundancy	7.1
CC(1/2)	0.991	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2M Ammonium sulfate, 20% w/v Polyethylene glycol 3350