1V6L

Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG)

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	128.278, 124.636, 75.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.173
Rwork	0.173
R-free	0.22400 *
Structure solution method	isomorphous replacement
RMSD bond length	0.014
RMSD bond angle	26.700 *
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	2.520
High resolution limit [Å]	2.500	2.500
Rmerge	0.127	0.461
Total number of observations	120907 *
Number of reflections	41998	2143 *
Completeness [%]	96.5 *	98.5 *
Redundancy	2.9	2.7

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 (%)