4YM0

Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lacto-N-tetraose (LNT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	45.189, 130.670, 45.271
Unit cell angles	90.00, 96.35, 90.00

Refinement procedure

Resolution	42.540 - 2.300
R-factor	0.1738
Rwork	0.172
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	Aimless (0.3.8)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.990	44.990	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.028	0.018	0.106
Rpim	0.016	0.010	0.071
Total number of observations	93135	1519	6257
Number of reflections	22849
<I/σ(I)>	35.2	65.6	10
Completeness [%]	98.6	96.6	88.8
Redundancy	4.1	3.8	3.1
CC(1/2)	0.999	0.999	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	1.2 M ammonium sulfate, 0.1 M HEPES pH 7.0, 4 % v/v PEG 400