1TP8

CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS HIRSUTA IN COMPLEX WITH METHYL-a-D-GALACTOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	295
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	89.900, 121.900, 131.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
Rwork	0.193
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jac
RMSD bond length	0.008
RMSD bond angle	2.200
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.730	3.500
High resolution limit [Å]	3.000	3.000
Rmerge	0.097	0.202
Number of reflections	28782
<I/σ(I)>	19.3	7.22
Completeness [%]	98.9	99.5
Redundancy	4.55	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.2 M PO4 BUFFER, 35-40% AMMONIUM SULPHATE,METHYL ALPHA GALACTOSE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K