3GAL

CRYSTAL STRUCTURE OF HUMAN GALECTIN-7 IN COMPLEX WITH GALACTOSAMINE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1997-08
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	95.590, 54.620, 61.200
Unit cell angles	90.00, 115.06, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.211
Rwork	0.211
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FREE GALECTIN-7
RMSD bond length	0.009
RMSD bond angle	30.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.058
Total number of observations	132648 *
Number of reflections	22372
<I/σ(I)>	6.8	5.5
Completeness [%]	98.6	98
Redundancy	5.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	16 *	CRYSTALS WERE GROWN USING THE HANGING DROP METHOD FROM DROPS CONTAINING 9 MG/ML PROTEIN AT PH 8.1 IN 50 MM SODIUM PHOSPHATE BUFFER, 0.3 M SODIUM CHLORIDE, 20 MM IMIDAZOLE, 8.5% PEG 3350 AND 25 MM GALACTOSAMINE. DROPS WERE EQUILIBRATED AGAINST RESERVOIRS CONTAINING 50 MM SODIUM PHOSPHATE BUFFER, 0.3 M SODIUM CHLORIDE, 20 MM IMIDAZOLE, 17% PEG 3350 AND 50 MM GALACTOSAMINE., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	drop	sodium phosphate	50 (mM)
3	1	drop		0.3 (M)
4	1	drop	imidazol	20 (mM)
5	1	drop	PEG3350	8.5 (%)
6	1	reservoir	sodium phosphate	50 (mM)
7	1	reservoir		0.3 (M)
8	1	reservoir	imidazole	20 (mM)
9	1	reservoir	PEG3350	17 (%)