3P7G

Structure of the human Langerin carbohydrate recognition domain in complex with mannose

Replaces:  3BC7

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9796, 0.9798, 0.9080
Spacegroup name	P 42
Unit cell lengths	79.710, 79.710, 89.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.17292
Rwork	0.172
R-free	0.20742
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	1.862
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.600
High resolution limit [Å]	1.500	1.500
Rmerge	0.042	0.336
Number of reflections	89165
<I/σ(I)>	18.5	4
Completeness [%]	99.3	98.8
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	Protein: 10mg/ml Langerin in 10 mM Tris/HCl pH 7.5, 5 mM Mannose; Reservoir: 0.1 M Na-cacodylate, 13 %(w/v) PEG4000, 0.1 M MgCl2, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K