1V6O

Peanut lectin complexed with 10mer peptide (PVRIWSSATG)

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 1 21 1
Unit cell lengths	128.127, 125.800, 84.740
Unit cell angles	90.00, 116.19, 90.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.174
Rwork	0.174
R-free	0.24100 *
Structure solution method	Isomorphous replacement
Starting model (for MR)	1cr7
RMSD bond length	0.010
RMSD bond angle	26.500 *
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	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.167	0.357
Total number of observations	110293 *
Number of reflections	43166	1185 *
Completeness [%]	95.5	94
Redundancy	2.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	293	30% PEG 8000, 0.2M Ammonium sulfate and 0.1M cacodylate pH6.5, 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 (%)