9KOW

Crystal structure of RaTG13 RBD complexed with cattle 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	2022-08-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	140.526, 97.319, 90.534
Unit cell angles	90.00, 129.27, 90.00

Refinement procedure

Resolution	69.090 - 3.980
R-factor	0.2122
Rwork	0.205
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.746
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]	70.090	4.120
High resolution limit [Å]	3.980	3.980
Number of reflections	8219	829
<I/σ(I)>	9.4
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.993	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Magnesium chloride hexahydrate 0.1 M Sodium citrate tribasic dihydrate pH 5.0 10% w/v Polyethylene glycol 20,000