3S6Y

Structure of reovirus attachment protein sigma1 in complex with alpha-2,6-sialyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	87.150, 333.180, 58.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.058 - 2.790
R-factor	0.161
Rwork	0.158
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.060	48.058	2.870
High resolution limit [Å]	2.790	12.520	2.790
Rmerge	0.105	0.037	0.549
Number of reflections	43203
<I/σ(I)>	18.58	46.64	5.01
Completeness [%]	100.0	97.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	15% PEG200, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K