1UGX

Crystal structure of jacalin- Me-alpha-T-antigen (Gal-beta(1-3)-GalNAc-alpha-o-Me) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	43.287, 100.556, 102.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.600
R-factor	0.189
Rwork	0.189
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	26.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.086	0.163
Total number of observations	139555 *
Number of reflections	27418	2452 *
Completeness [%]	91.5	83 *
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3	293	PEG 4000, NaCl, sodium azide, Phosphate buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	phosphate	0.02 (M)	pH7.3
3	1	drop		0.1 (M)
4	1	drop	sodium azide	0.025 (%(w/v))
5	1	drop	PEG4000	8-10 (%)
6	1	reservoir	PEG4000	40 (%)