3LEG

Lectin Domain of Lectinolysin complexed with Lewis Y Antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	67.060, 67.060, 98.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.460 - 2.010
R-factor	0.19536
Rwork	0.193
R-free	0.23412
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3leo
RMSD bond length	0.018
RMSD bond angle	1.604
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER (1.3.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.460	67.060	2.080
High resolution limit [Å]	2.010	4.330	2.010
Rmerge	0.143	0.064	0.492
Number of reflections	15622
<I/σ(I)>	9.7	21	4.1
Completeness [%]	99.8	99.1	100
Redundancy	11.79	10.83	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	2M MgSO4, 100mM Tris, pH 8.5, vapor diffusion, hanging drop, temperature 294K