5OAX

Galectin-3c in complex with thiogalactoside derivate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	36.190, 58.150, 62.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.070 - 1.200
R-factor	0.10412
Rwork	0.103
R-free	0.13195
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	2.522
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.200
Rmerge	0.057
Number of reflections	42317
<I/σ(I)>	19.3
Completeness [%]	99.7
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	19.2 mg/mL GALECTIN-3C, 100mM NaCl, 0.1 M TRIS/HCL, pH 7.5, 30 % PEG 4000, 0.4 M NaSCN, 0.1M MgCl2, 10 mM BETA-MERCAPTOETHANOL, 4.9 mM INHIBITOR COMPOUND