3P5H

Structure of the carbohydrate-recognition domain of human Langerin with Laminaritriose

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	2010-07-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 42
Unit cell lengths	80.110, 80.110, 90.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.322 - 1.605
R-factor	0.1804
Rwork	0.179
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.094
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]	36.640	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.053	0.302
Number of reflections	75402
<I/σ(I)>	22	6.4
Completeness [%]	99.9	100
Redundancy	7.6	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	protein solution: 2.5 mg mL-1 langerin CRD, 1.25 mM CaCl2, 5 mM Tris pH 8.0, 12.5 mM NaCl and 15 mM Laminaritriose. reservoir solution: 0.1 M Hepes pH 7.0, 0.1 M MgCl2 and 20% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K