1W6Q

X-RAY CRYSTAL STRUCTURE OF R111H 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	43.130, 58.180, 111.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.650 - 2.100
R-factor	0.242
Rwork	0.242
R-free	0.28300
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]	35.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	0.240
Number of reflections	16802
<I/σ(I)>	9.2	4.4
Completeness [%]	97.6	94.6
Redundancy	3.9	2.4

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 (30% (V/V) PEG4000, 1% BETA-MERCAPTO ETHANOL AND N-BUTANOL, PH 5.6)