1UGY

Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	80.460, 99.830, 105.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.400
R-factor	0.18
Rwork	0.180
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	26.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.138	0.400
Total number of observations	106303 *
Number of reflections	32331	3044 *
Completeness [%]	95.2	91.1
Redundancy	3.3

Crystallization Conditions

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