3LE0

Lectin Domain of Lectinolysin complexed with Glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	67.189, 67.189, 98.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.460 - 1.910
R-factor	0.17612
Rwork	0.175
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j1r
RMSD bond length	0.015
RMSD bond angle	1.466
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.460	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.091	0.063	0.556
Number of reflections	16856
<I/σ(I)>	10.5
Completeness [%]	91.5	97.7	72.3
Redundancy	15.9	14.7	13.8

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