5XGR

Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	49.612, 212.659, 87.943
Unit cell angles	90.00, 94.76, 90.00

Refinement procedure

Resolution	37.796 - 2.100
R-factor	0.2181
Rwork	0.216
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gj4
RMSD bond length	0.006
RMSD bond angle	1.062
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.104
Rpim	0.052	0.527
Number of reflections	104555
<I/σ(I)>	15.355
Completeness [%]	99.9	99.9
Redundancy	5	4.8
CC(1/2)	0.998	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M potassium thiocyanate, 20% (w/v) polyethylene glycol 3350