9FDC

Co-crystal structure of Galectin-3 with an inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	35.590, 57.651, 63.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.630 - 1.780
R-factor	0.2018
Rwork	0.200
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.080
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	1.930
High resolution limit [Å]	1.780	1.780
Rmeas	0.227	1.460
Number of reflections	10503	525
<I/σ(I)>	7.2	1.6
Completeness [%]	80.6	19.2
Redundancy	6.5
CC(1/2)	0.995	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.5, 1.4 M Sodium citrate