9KOS

Crystal structure of RaTG13 RBD complexed with sheep 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	P 41 21 2
Unit cell lengths	171.965, 171.965, 85.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 3.740
R-factor	0.2361
Rwork	0.232
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.718
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	3.870
High resolution limit [Å]	3.740	3.740
Number of reflections	13706	1334
<I/σ(I)>	8.8
Completeness [%]	99.8
Redundancy	25.1
CC(1/2)	0.994	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M BICINE pH 8.5 20% w/v Polyethylene glycol 10,000