4N34

Structure of langerin CRD I313 with alpha-MeGlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97650
Spacegroup name	P 42
Unit cell lengths	80.060, 80.060, 90.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.800 - 1.750
R-factor	0.1784
Rwork	0.176
R-free	0.22850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3p5g
RMSD bond length	0.007
RMSD bond angle	1.120
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.940	39.284	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.026	0.088
Total number of observations		13431	58774
Number of reflections	56552
<I/σ(I)>	37.5	24.3	8.2
Completeness [%]	98.7	96.1	97.9
Redundancy	7.4	7.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Protein solution: 2.3-4.0 mg/mL langerin, 2.5 mM CaCl2, 10-100 mM Tris (pH 8.0), 25 mM NaCl and 50mM alpha-Me-GlcNAc. The reservoir solution contained 0.1 M HEPES (pH 7.0), 0.1-0.2 M MgCl2, and 20-35% polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K