1OUR

LecB (PA-LII) in complex with mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-06
Detector	MARRESEARCH
Wavelength(s)	0.9
Spacegroup name	I 2 2 2
Unit cell lengths	52.777, 69.184, 74.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.400 *
R-factor	0.1831
Rwork	0.182
R-free	0.19700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.446
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.470
High resolution limit [Å]	1.400	1.420
Rmerge	0.026	0.070
Total number of observations	201345 *
Number of reflections	24948
<I/σ(I)>	34.4
Completeness [%]	96.2	93.5
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG8000, ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	ammonium sulfate	150 (mM)
3	1	drop	protein	5 (mg/ml)
4	1	drop	Tris	100 (mM)	pH8.0