6RHL

Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.652
Spacegroup name	P 21 21 21
Unit cell lengths	37.182, 58.403, 63.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.200 - 1.299
R-factor	0.138
Rwork	0.136
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsl
RMSD bond length	0.015
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.200	1.340
High resolution limit [Å]	1.290	1.290
Number of reflections	34990	3423
<I/σ(I)>	10.72
Completeness [%]	99.7
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 4000, 0.1 M Tris/HCl pH 7.5, 0.4 M NaSCN, 7.9 mM beta-mercaptoethanol