1CQ9

PEANUT LECTIN-TRICLINIC FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	53.640, 71.790, 86.420
Unit cell angles	65.35, 77.66, 72.31

Refinement procedure

Resolution	10.000 - 3.500
R-factor	0.217
Rwork	0.217
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2PEL WITHOUT SUGAR AND WATER
RMSD bond length	0.020 *
RMSD bond angle	27.900 *
Data reduction software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.700
High resolution limit [Å]	3.500 *
Rmerge	0.157	0.301 *
Total number of observations	16538 *
Number of reflections	11935 *
<I/σ(I)>	2.53
Completeness [%]	84.3 *	81.4 *
Redundancy	1.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.4 *	20 *	Salunke, D.M., (1983) FEBS Lett., 156, 127. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	PEG6000	40 (%(w/v))
3	1	reservoir		0.2 (M)
4	1	reservoir	sodium acetate	0.05 (M)
5	1	reservoir	lactose	1.5 (mM)
6	1	drop	phosphate