6H9Y

Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	38.988, 54.725, 67.433
Unit cell angles	90.00, 97.92, 90.00

Refinement procedure

Resolution	66.790 - 1.310
R-factor	0.1821
Rwork	0.181
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h9w
RMSD bond length	0.023
RMSD bond angle	2.106
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.790	54.720	1.380
High resolution limit [Å]	1.310	4.140	1.310
Rmerge	0.087	0.055	0.600
Rmeas	0.102	0.064	0.736
Rpim	0.053	0.032	0.419
Number of reflections	64030	2213	9582
<I/σ(I)>	8.4
Completeness [%]	94.9	99.8	97.6
Redundancy	3.4	3.6	2.8
CC(1/2)	0.995	0.993	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	1.5M Li2SO4 0.1M Tris pH6.5