5Z4V

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
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-03-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.81
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	27.711 - 1.650
R-factor	0.1385
Rwork	0.138
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pi6
RMSD bond length	0.035
RMSD bond angle	2.892
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0189)

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	52135
<I/σ(I)>	13.3
Completeness [%]	99.9	99.7
Redundancy	20

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