5G6U

Crystal structure of langerin carbohydrate recognition domain with GlcNS6S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 42
Unit cell lengths	79.483, 79.483, 90.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.401 - 1.844
R-factor	0.153
Rwork	0.152
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c22
RMSD bond length	0.023
RMSD bond angle	0.777
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.550	1.960
High resolution limit [Å]	1.840	1.840
Rmerge	0.050	0.300
Number of reflections	48373
<I/σ(I)>	19	4.6
Completeness [%]	99.5	98.1
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		HEPES PH7, 100 MM MGCL2, 150 MM NACL, 20% PEG3350