9JR4

Crystal structure of RaTG13 receptor-binding domain complexed with squirrel ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	168.990, 168.990, 86.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.220 - 2.760
R-factor	0.2142
Rwork	0.211
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.009
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.860
High resolution limit [Å]	2.760	2.760
Number of reflections	32541	3200
<I/σ(I)>	16.1
Completeness [%]	99.3
Redundancy	27.6
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	8% v/v Tacsimate pH8.0, 20% w/v Polyethylene glycol 3350.