1W6N

X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1

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	36.809, 88.263, 93.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.810 - 1.650
R-factor	0.21
Rwork	0.210
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzw
RMSD bond length	0.005
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]	23.810	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.060	0.280
Number of reflections	37567
<I/σ(I)>	7.4	2.6
Completeness [%]	99.8	99.7
Redundancy	5	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)