5CBL

Crystal structure of the C-terminal domain of human galectin-4 with lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	45.512, 126.741, 45.530
Unit cell angles	90.00, 99.65, 90.00

Refinement procedure

Resolution	63.370 - 1.781
R-factor	0.1854
Rwork	0.182
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ojb
RMSD bond length	0.004
RMSD bond angle	0.979
Data reduction software	MOSFLM (7.1.3)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.370	63.370	1.880
High resolution limit [Å]	1.781	5.630	1.780
Rmerge		0.051	0.506
Rmeas	0.111
Rpim	0.044	0.021	0.226
Total number of observations	274222	9352	40346
Number of reflections	46238
<I/σ(I)>	9.1	17.5	3.2
Completeness [%]	95.4	97	97.4
Redundancy	5.9	6.2	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	0.1 M Tris-HCl pH 8.5, 25% a 35% PEG 4000-10000, 0.2 to 0.4 M lithium or ammonium sulfate