1V6M

Peanut Lectin with 9mer 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 1 21 1
Unit cell lengths	127.852, 126.139, 84.825
Unit cell angles	90.00, 116.16, 90.00

Refinement procedure

Resolution	20.000 * - 2.700
R-factor	0.21
Rwork	0.210
R-free	0.26400
Structure solution method	Isomorphous replacement
Starting model (for MR)	1cr7
RMSD bond length	0.009
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	2.720
High resolution limit [Å]	2.700	2.700
Rmerge	0.160	0.563
Total number of observations	241010 *
Number of reflections	64462	3220 *
Completeness [%]	97.4	96.9
Redundancy	3.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	293	30% PEG8000, 0.2M Ammonium sulfate and 0.1M cacodylate, 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 (%)