7RDP

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

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 210
Wavelength(s)	0.9737
Spacegroup name	P 21 21 21
Unit cell lengths	36.411, 58.034, 63.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.860 - 1.960
Rwork	0.150
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b8k
RMSD bond length	0.012
RMSD bond angle	1.629
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.862	2.030
High resolution limit [Å]	1.959	1.960
Number of reflections	9287	833
<I/σ(I)>	20.54	5.45
Completeness [%]	91.3
Redundancy	4.2
CC(1/2)	0.999	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	31% PEG 3100, 100 mM tris-HCl pH 7.5, 100 mM MgCl2, 8 mM 2-Mercaptoethanol