5GNB

Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	2.08
Spacegroup name	C 2 2 21
Unit cell lengths	86.720, 183.990, 63.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 2.300
R-factor	0.1751
Rwork	0.173
R-free	0.21920
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.854
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXCD
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.230	1.280
Number of reflections	43316
<I/σ(I)>	28.04	3.37
Completeness [%]	99.5	93.9
Redundancy	89.76	30.92
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M Tris, 24%PEG4000, 0.2M MgCl2, 4% v/v Pentaerythritol ethoxylate (3/4 EO/OH)