5DUU

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

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	2014-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	63.238, 64.533, 64.685
Unit cell angles	90.00, 90.88, 90.00

Refinement procedure

Resolution	45.680 - 2.000
R-factor	0.1858
Rwork	0.184
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i8t
RMSD bond length	0.009
RMSD bond angle	1.344
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.680	45.680	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.074	0.027	0.279
Rpim	0.039	0.016	0.149
Total number of observations	159500	1722	11018
Number of reflections	35098
<I/σ(I)>	15.8	34.5	5.2
Completeness [%]	99.5	96.5	97.4
Redundancy	4.5	4.2	4.3
CC(1/2)	0.998	0.999	0.943

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