4YM1

Crystal structure of the human galectin-4 C-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	45.292, 129.962, 45.207
Unit cell angles	90.00, 96.96, 90.00

Refinement procedure

Resolution	44.960 - 2.000
R-factor	0.165
Rwork	0.163
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ojb
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.960	44.960	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.125	0.033	0.274
Rpim	0.052	0.019	0.157
Total number of observations	172036	1629	10195
Number of reflections	34862
<I/σ(I)>	12.3	24.5	6.3
Completeness [%]	99.7	99.1	99.5
Redundancy	4.9	4	4
CC(1/2)	0.996	0.998	0.866

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, 4 % v/v PEG 400