5DUV

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

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	62.920, 64.750, 64.470
Unit cell angles	90.00, 91.26, 90.00

Refinement procedure

Resolution	37.240 - 1.900
R-factor	0.1574
Rwork	0.155
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i8t
RMSD bond length	0.006
RMSD bond angle	1.063
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.240	37.240	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.078	0.043	0.267
Rpim	0.044	0.025	0.177
Total number of observations	161697	1425	6854
Number of reflections	40168
<I/σ(I)>	12.2	18.4	4.1
Completeness [%]	98.1	98.7	82.1
Redundancy	4	3.6	3.2
CC(1/2)	0.997	0.997	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293.15	0.2 M calcium acetate, 20 % w/v PEG 3350