1FAY

WINGED BEAN ACIDIC LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE (MONOCLINIC FORM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-10-05
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	134.530, 125.910, 138.790
Unit cell angles	90.00, 95.89, 90.00

Refinement procedure

Resolution	20.000 - 3.300
R-factor	0.204
Rwork	0.204
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WINGED BEAN ACIDIC LECTIN (PDB CODE 1F9K)
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.120	0.420
Total number of observations	69174 *
Number of reflections	32900 *
Completeness [%]	93.1	93.6
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	Manoj, N., (1999) Acta Crystallogr., D55, 564. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	sugar		in phosphate buffer(20-fold molar excess)
3	1	drop	PEG4000	35 (%(w/v))
4	1	reservoir	PEG4000	35 (%(w/v))