5KWB

Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 1.9 angstrom, molecular replacement)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97776
Spacegroup name	C 2 2 21
Unit cell lengths	86.556, 183.800, 63.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.248 - 1.910
R-factor	0.1767
Rwork	0.175
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gnb
RMSD bond length	0.010
RMSD bond angle	1.046
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.910	1.910
Rmerge	0.112	0.750
Number of reflections	75702
<I/σ(I)>	9.37	1.6
Completeness [%]	99.6	98.8
Redundancy	3.45	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M Tris, 24%PEG4000, 0.2M MgCl2