4YM2

Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lactose-3'-sulfate

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	45.224, 129.208, 45.233
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	42.420 - 2.100
R-factor	0.163
Rwork	0.161
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ojb
RMSD bond length	0.007
RMSD bond angle	1.346
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]	44.910	44.910	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.111	0.034	0.181
Rpim	0.045	0.020	0.107
Total number of observations	161411	1617	9047
Number of reflections	29564
<I/σ(I)>	12.5	21.5	6.4
Completeness [%]	98.4	98.4	96.8
Redundancy	5.5	4	3.7
CC(1/2)	0.995	0.997	0.890

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