3S6Z

Structure of reovirus attachment protein sigma1 in complex with alpha-2,8-disialyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975500
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 - 2.280
R-factor	0.1753
Rwork	0.173
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.018
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]	48.058	48.058	2.340
High resolution limit [Å]	2.280	10.200	2.280
Rmerge	0.053	0.014	0.435
Number of reflections	75918
<I/σ(I)>	18.61	63.27	3.17
Completeness [%]	97.0	87.5	98.9

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