9KUD

Crystal structure of SARS-CoV-2 JN.1 variant RBD complexed with squirrel 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	2024-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	128.674, 129.157, 138.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.380 - 3.140
R-factor	0.2274
Rwork	0.225
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.310
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.250
High resolution limit [Å]	3.140	3.140
Number of reflections	40849	3998
<I/σ(I)>	5.46
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.957	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Sodium malonate pH 6.0 20% w/v Polyethylene glycol 3,350