3P5D

Structure of the carbohydrate-recognition domain of human Langerin with man5 (Man alpha1-3(Man alpha1-6)Man alpha1-6)(Man- alpha1-3)Man

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	79.340, 79.340, 89.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.030 - 1.801
R-factor	0.176
Rwork	0.174
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.076
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]	44.830	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.374
Number of reflections	51255
<I/σ(I)>	18.2	5.4
Completeness [%]	100.0	99.9
Redundancy	7.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	protein solution: 5 mg/mL langerin CRD, 2.5 mM CaCl2, 10 mM Tris pH 8.0, 25 mM NaCl and 10 mM Man5. reservoir solution: 0.1 M Hepes pH 7.0, 0.25 M MgCl2 and 25% polyethylene glycol 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K