7CXA

Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-05
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 31
Unit cell lengths	40.843, 40.843, 152.631
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.090 - 1.970
R-factor	0.2042
Rwork	0.202
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsl
RMSD bond length	0.008
RMSD bond angle	1.431
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	1.970	4.240	1.970
Rmerge	0.063	0.047	0.738
Total number of observations	86610
Number of reflections	20163	1986	2057
<I/σ(I)>	12.2
Completeness [%]	99.7	96.8	100
Redundancy	4.3	4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	28-35% PEG 4000/6000, 0.1M Tris (pH 7.5 - pH 8.5), 0.1M MgCl2, 0.4M NaSCN