6JHY

Crystal Structure of the S1 subunit N-terminal domain from DcCoV UAE-HKU23 spike protein

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	2017-05-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	123.587, 46.885, 75.734
Unit cell angles	90.00, 122.64, 90.00

Refinement procedure

Resolution	32.610 - 2.500
R-factor	0.2035
Rwork	0.201
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h14
RMSD bond length	0.007
RMSD bond angle	1.156
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.610	2.590
High resolution limit [Å]	2.500	2.500
Rpim	0.058	0.147
Number of reflections	14536
<I/σ(I)>	14.826
Completeness [%]	99.5
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.5 M Ammonium sulfate, and 0.1 M Sodium acetate trihydrate, pH 7.5