5GYQ

Putative receptor-binding domain of bat-derived coronavirus HKU9 spike protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.03906
Spacegroup name	P 1 21 1
Unit cell lengths	42.752, 35.990, 62.886
Unit cell angles	90.00, 102.72, 90.00

Refinement procedure

Resolution	41.703 - 2.100
R-factor	0.1715
Rwork	0.170
R-free	0.20060
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.820
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
Number of reflections	10822
<I/σ(I)>	34.023
Completeness [%]	97.1	80.7
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M sodium citrate tribasic dihydrate pH 7.0, 12% PEG 20000