6HA0

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)	0.97928
Spacegroup name	P 1 21 1
Unit cell lengths	38.739, 54.641, 67.944
Unit cell angles	90.00, 97.73, 90.00

Refinement procedure

Resolution	67.330 - 1.850
R-factor	0.1788
Rwork	0.176
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h9w
RMSD bond length	0.016
RMSD bond angle	1.718
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.330	54.640	1.950
High resolution limit [Å]	1.850	5.860	1.850
Rmerge	0.088	0.035	0.699
Rmeas	0.103	0.041	0.824
Rpim	0.053	0.021	0.431
Number of reflections	23811	803	3447
<I/σ(I)>	9.5
Completeness [%]	99.2	99.5	98.9
Redundancy	3.6	3.5	3.5
CC(1/2)	0.997	0.996	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	25%PEG 6000 0.1M Na-HEPES pH7.5 0.1M LiCl