1QF3

PEANUT LECTIN COMPLEXED WITH METHYL-BETA-GALACTOSE

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 21 21 2
Unit cell lengths	128.953, 126.683, 77.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
R-factor	0.195 *
Rwork	0.195
R-free	0.24700
Structure solution method	OTHER
Starting model (for MR)	PDB2PEL.ENT WITHOUT SUGAR AND WATER
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	99.000
High resolution limit [Å]	2.800
Rmerge	0.128
Total number of observations	573611 *
Number of reflections	31250
Completeness [%]	96.5
Redundancy	18.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7		HANGING DROP OF 5 MG/ML PROTEIN IN 0.05 M SODIUM PHOSPHATE BUFFER,PH 7.0, CONTAINING 0.2M SODIUM CHLORIDE, 0.02 % SODIUM AZIDE, 1.5-10MM METHYL-BETA- GALACTOSE AND 12% (W/V) PEG 8000 IN THE SAME BUFFER, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
10	1	reservoir	sugar	1.5-10 (mM)
11	1	reservoir	sodium phosphate	0.05 (M)
2	1	drop	sodium phosphate	0.05 (M)
3	1	drop		0.2 (M)
4	1	drop	sodium azide	0.02 (%)
5	1	drop	sugar	1.5-10 (mM)
6	1	drop	PEG8000	12 (%(w/v))
7	1	reservoir	PEG8000	40 (%(w/v))
8	1	reservoir		0.2 (M)
9	1	reservoir	sodium azide	0.02 (%)