3P5I

Structure of the carbohydrate-recognition domain of human Langerin with 6-SO4-Gal-GlcNAc

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	2010-05-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 42
Unit cell lengths	79.810, 79.810, 90.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.905 - 1.800
R-factor	0.181
Rwork	0.178
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.084
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]	47.920	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.281
Number of reflections	52682
<I/σ(I)>	18.6	6.5
Completeness [%]	100.0	100
Redundancy	7.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	protein solution: 2.5 mg/mL langerin CRD, 1.25 mM CaCl2, 5 mM Tris pH 8.0, 12.5 mM NaCl and 7.5 mM 6SO4-Gal-GlcNAc. reservoir solution: 0.1 M Hepes pH 7.0, 0.1 M MgCl2 and 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K