3P5G

Structure of the carbohydrate-recognition domain of human Langerin with Blood group B trisaccharide (Gal alpha1-3(Fuc alpha1-2)Gal)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 42
Unit cell lengths	79.860, 79.860, 90.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.260 - 1.603
R-factor	0.181
Rwork	0.179
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.069
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.930	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.053	0.240
Number of reflections	74505
<I/σ(I)>	13.9	4.8
Completeness [%]	100.0	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	protein solution: 5 mg mL-1 langerin CRD, 2.5 mM CaCl2, 10 mM Tris pH 8.0, 25 mM NaCl and 5 mM GB. reservoir solution: 0.1 M Hepes pH 7.0, 0.25 M MgCl2 and 20% polyethylene glycol 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K