4KZW

Structure of the carbohydrate-recognition domain of the C-type lectin mincle

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	PIXEL
Collection date	2012-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 65
Unit cell lengths	64.290, 64.290, 127.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.720 - 1.850
R-factor	0.182
Rwork	0.179
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.027
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]	33.720	33.725	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.019	0.420
Total number of observations		7766	38428
Number of reflections	24890
<I/σ(I)>	33.4	28.5	1.9
Completeness [%]	98.2	95.9	97.8
Redundancy	10.4	10	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295	Protein: 3.5 mg/ml mincle, 2.5 mM CaCl2, 10 mM Tris-Cl, pH 8.0, 25 mM NaCl. Reservoir: 20% polyethylene glycol 4,000, 20% 2-propanol and 0.1 M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K