1UGW

Crystal structure of jacalin- Gal 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	P 21 21 21
Unit cell lengths	80.444, 99.548, 105.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.185
Rwork	0.185
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m26
RMSD bond length	0.005
RMSD bond angle	26.500 *
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]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.055	0.447
Total number of observations	350856 *
Number of reflections	91056	8911 *
Completeness [%]	96.8	95.8
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3	293	PEG 4000, ammonium sulfate, sodium acetate trihydrate, 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 (%)