8WKU

Complex structure of MjHKU4r-CoV-1 spike RBD bound to human CD26

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	2023-05-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	127.501, 127.501, 245.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.780 - 3.500
R-factor	0.2293
Rwork	0.211
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qzv
RMSD bond length	0.004
RMSD bond angle	0.679
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.710
High resolution limit [Å]	3.500	3.500
Number of reflections	54034	6746
<I/σ(I)>	10.31
Completeness [%]	95.9
Redundancy	7
CC(1/2)	0.995	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Amino acids, 0.1 M buffer system 3 (Tris base; Bicine) and 30% v/v EDO_P8K