4KZV

Structure of the carbohydrate-recognition domain of the C-type lectin mincle bound to trehalose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	73.480, 73.480, 99.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.740 - 1.400
Rwork	0.170
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.740	36.739	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.021	0.342
Total number of observations		16444	74800
Number of reflections	54041
<I/σ(I)>	29.6	27.7	2.3
Completeness [%]	99.8	99.7	99
Redundancy	9.6	8.6	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295	Protein: 2.5 mg/ml mincle, 2.5 mM CaCl2, 10 mM Tris-Cl, pH 8.0, 25 mM NaCl, 50 mM Trehalose. Reservoir: 25% polyethylene glycol 4,000, 17.5% 2-propanol and 0.1 M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K