5DUX

Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	63.152, 64.469, 64.653
Unit cell angles	90.00, 90.79, 90.00

Refinement procedure

Resolution	45.650 - 1.850
R-factor	0.1681
Rwork	0.166
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i8t
RMSD bond length	0.006
RMSD bond angle	1.105
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.650	45.650	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.041	0.032	0.125
Rpim	0.024	0.021	0.079
Total number of observations	177950	1340	8997
Number of reflections	44028
<I/σ(I)>	22.9	33.8	8.9
Completeness [%]	99.1	94.4	96.2
Redundancy	4	3.5	3.4
CC(1/2)	0.998	0.998	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	3.5 M sodium formate, 0.1 M Tris