8ZE6

Crystal structure of MjHKU4r-CoV-1 RBD bound to MjDPP4

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	2023-10-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	96.532, 121.440, 110.624
Unit cell angles	90.00, 105.13, 90.00

Refinement procedure

Resolution	47.490 - 2.700
R-factor	0.244
Rwork	0.242
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.482
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	XDS (Jun 30, 2023)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	2.870
High resolution limit [Å]	2.700	2.700
Number of reflections	66775	10670
<I/σ(I)>	4.98
Completeness [%]	98.8
Redundancy	3.88
CC(1/2)	0.971	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Ammonium tartrate dibasic (pH 7.0) and 12% (wt/vol) PEG 3350.