1KJL

High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.96
Spacegroup name	P 21 21 21
Unit cell lengths	37.600, 58.400, 64.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.187
Rwork	0.186
R-free	0.21700
Structure solution method	MAD
Starting model (for MR)	1a3k
RMSD bond length	1.080
RMSD bond angle	1.580
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	25049
Completeness [%]	92.7	56.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 4000, Tris, magnesium chloride, 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K