6K2N

Structural basis of glycan recognition in globally predominant human P[8] rotavirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	113
Detector technology	CCD
Collection date	2017-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97774
Spacegroup name	P 1 21 1
Unit cell lengths	66.289, 114.550, 73.789
Unit cell angles	90.00, 95.96, 90.00

Refinement procedure

Resolution	46.695 - 1.800
R-factor	0.2037
Rwork	0.202
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jdb
RMSD bond length	0.005
RMSD bond angle	0.689
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.084	0.804
Number of reflections	99560	99560
<I/σ(I)>	21.597	1.5
Completeness [%]	98.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Sodium acetate trihydrate pH 4.5, 2.0 M ammonium sulfate