9JR5

Crystal structure of PCoV-GD receptor-binding domain complexed with squirrel ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 41 2 2
Unit cell lengths	195.143, 195.143, 145.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.786 - 3.414
R-factor	0.2217
Rwork	0.218
R-free	0.28210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.026
RMSD bond angle	1.553
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.540
High resolution limit [Å]	3.410	3.410
Number of reflections	19205	1830
<I/σ(I)>	8.25
Completeness [%]	98.9
Redundancy	24.5
CC(1/2)	0.989	0.762

Crystallization Conditions

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