7RDO

Crystal structure of human galectin-3 CRD in complex with diselenodigalactoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953
Spacegroup name	P 21 21 21
Unit cell lengths	34.906, 58.366, 63.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.550 - 1.990
Rwork	0.179
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b8k
RMSD bond length	0.011
RMSD bond angle	1.729
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.550	2.070
High resolution limit [Å]	1.990	2.000
Number of reflections	9155	884
<I/σ(I)>	11	7.9
Completeness [%]	99.5
Redundancy	6
CC(1/2)	0.984	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	31% PEG6000, 100 mM magnesium chloride, 8 mM BME, 100 mM Tris-HCl, pH 7.0,