1N47

Isolectin B4 from Vicia villosa in complex with the Tn antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	277
Detector technology	AREA DETECTOR
Detector	MARRESEARCH
Wavelength(s)	0.93
Spacegroup name	P 43
Unit cell lengths	85.510, 85.510, 153.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.19034
Rwork	0.188
R-free	0.23800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	structure of unliganded lectin (from reference 1)
RMSD bond length	0.014
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.107 *	0.467 *
Total number of observations	144637 *
Number of reflections	30037
Completeness [%]	99.8	99.8
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	291	acetate, MPD , pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	acetate	170 (mM)	pH4.7
2	1	reservoir	MPD	18 (%)