1V6K

Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA)

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 2
Unit cell lengths	128.030, 124.030, 75.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.177
Rwork	0.177
R-free	0.21900
Structure solution method	Isomorphous replacement
RMSD bond length	0.009
RMSD bond angle	26.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.420
High resolution limit [Å]	2.400	2.400
Rmerge	0.119	0.584
Total number of observations	190413 *
Number of reflections	46230	2267 *
Completeness [%]	96.4 *	95.3 *
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	293	PEG 8000, 0.2M calcium acetate, 0.1M cacodylate pH 6.5, pH 4.6, Hanging drop method, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.2 (mg/ml)
2	1	drop	sodium acetate	0.05 (M)
3	1	drop		0.2 (M)
4	1	drop	sodium azide	0.05 (%)
5	1	drop	lactose	2.1 (mM)
6	1	reservoir	PEG8000	12 (%)