1A3K

X-RAY CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-3 CARBOHYDRATE RECOGNITION DOMAIN (CRD) AT 2.1 ANGSTROM RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1994-12
Detector	SIEMENS
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	5.000 - 2.100
R-factor	0.17
Rwork	0.170
R-free	0.24000
Structure solution method	MULTIPLE ISOMORPHOUS METHOD
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	XDS
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.900
Rmerge	0.052
Total number of observations	40093 *
Number of reflections	7955
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		PROTEIN CRYSTALLIZED BY HANGING-DROP VAPOUR DIFFUSION METHOD FROM DROPS CONTAINING EQUAL VOLUMES OF PROTEIN(10-15MG/ML) IN CRYSTALLIZATION BUFFER CONTAINING 1MM LACTOSE OR 30 MM N-ACETYLLACTOSAMINE AND THE WELL SOLUTION COMPOSED OF 27-30% PEG 4000-6000, 100MM TRIS-HCL PH 8.5, 100 MM MGCL2, AND 8 MM 2-MERCAPTOETHANOL., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	lactose	1 (mM)	can be replaced by 30mM N-acetyllactosamine
3	1	reservoir	PEG4000	27-35 (%)	to PEG6000
4	1	reservoir	Tris-HCl	100 (mM)	pH8.5
5	1	reservoir		100 (mM)
6	1	reservoir	2-mercaptoethanol	8 (mM)