2PI6

Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Detector technology	IMAGE PLATE
Collection date	2007-03-10
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	60.873, 66.415, 105.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.900 - 1.650
R-factor	0.16839
Rwork	0.167
R-free	0.21725
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dpe
RMSD bond length	0.013
RMSD bond angle	1.507
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.900	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	50988
Completeness [%]	99.9	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	Tri-HCl, 20% Ethanol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K