3S6X

Structure of reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose

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	2008-11-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9185
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	38.611 - 2.250
R-factor	0.1597
Rwork	0.158
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.611	38.611	2.310
High resolution limit [Å]	2.250	10.060	2.250
Number of reflections	78323
Completeness [%]	95.3	95.4	89.7

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