1W6M

X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH GALACTOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	36.776, 88.898, 93.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.600 - 2.300
R-factor	0.201
Rwork	0.201
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzw
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.600	2.450
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.230
Number of reflections	13774
<I/σ(I)>		3.1
Completeness [%]	96.4	94.8
Redundancy	5.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6		CRYSTALS WERE OBTAINED IN SITTING DROPS BY MIXING EQUAL VOLUMES OF THE PROTEIN SOLUTION (10 MG/ML) AND THE PRECIPITATING BUFFER (2M AMMONIUM SULPHATE AND 1% BETA-MERCAPTO ETHANOL, PH 5.6). THE GALACTOSE COMPLEX WAS OBTAINED BY SOAKING C2S CRYSTALS FOR 72H IN THE MOTHER LIQUOR SUPPLEMENTED WITH 10 MM OF GALACTOSE