1W6P

X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH N- Acetyl-LACTOSAMINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	36.760, 88.100, 93.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.220 - 1.800
R-factor	0.216
Rwork	0.216
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzw
RMSD bond length	0.010
RMSD bond angle	1.400
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]	30.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.040	0.200
Number of reflections	29125
<I/σ(I)>	12.9	5.6
Completeness [%]	99.9	99.8
Redundancy	5.1	3.8

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 LACTOSE COMPLEX WAS OBTAINED BY SOAKING C2S CRYSTALS FOR 72H IN THE MOTHER LIQUOR SUPPLEMENTED WITH 10 MM OF LACTOSE