5H9R

Crystal Structure of Human Galectin-3 CRD in Complex with TAZTDG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	36.814, 57.690, 62.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.225 - 1.580
R-factor	0.1723
Rwork	0.170
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nmn
RMSD bond length	0.006
RMSD bond angle	1.223
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.060	0.447
Number of reflections	18965
<I/σ(I)>	22.8	3.32
Completeness [%]	99.7	98.2
Redundancy	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M Tris pH8.5, 0.2 M MgCl2, 30% (w/v) PEG 3350