3LEI

Lectin Domain of Lectinolysin complexed with Fucose

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	2008-04-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	67.010, 67.010, 97.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.640 - 1.900
R-factor	0.20183
Rwork	0.199
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3leo
RMSD bond length	0.017
RMSD bond angle	1.448
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]	42.640	55.280	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.124	0.062	0.429
Number of reflections	18008
<I/σ(I)>	9.6	21.9	4
Completeness [%]	98.6	99.5	87.7
Redundancy	8.61	8.55	5.78

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