7CXB

Structure of mouse Galectin-3 CRD in complex with TD-139 belonging to P6522 space group.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 65 2 2
Unit cell lengths	63.880, 63.880, 136.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.260 - 1.460
R-factor	0.196
Rwork	0.194
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cxa
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.320	1.500
High resolution limit [Å]	1.460	1.460
Rmerge	0.085	1.599
Rmeas	0.087	1.638
Rpim	0.020	0.353
Total number of observations	591876	44742
Number of reflections	29378	2113
<I/σ(I)>	19.3	2
Completeness [%]	99.8	99.9
Redundancy	20.1	21.2
CC(1/2)	0.999	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	24%-35% (PEG 4000/PEG 6000), 0.1M Tris (pH 7.5 to pH 8.5), 0.4M NaSCN