9KRQ

Crystal structure of ZXC21 RBD

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)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	44.163, 73.772, 117.835
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.870 - 3.080
R-factor	0.2394
Rwork	0.236
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.539
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.190
High resolution limit [Å]	3.080	3.080
Number of reflections	7333	536
<I/σ(I)>	7
Completeness [%]	97.0
Redundancy	12.3
CC(1/2)	0.974	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2M Sodium iodide 20% w/v PEG3350