1OXC

LecB (PA-LII) in complex with FUCOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	49.088, 73.058, 99.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.200
R-factor	0.175
Rwork	0.174
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.498
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]	35.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.067 *	0.106
Total number of observations	790584 *
Number of reflections	108658
<I/σ(I)>	27.37
Completeness [%]	96.5 *	93.6

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	drop	protein	5 (mg/ml)
2	1	drop	Tris	100 (mM)	pH8.0
3	1	reservoir	PEG8000	30-35 (%)
4	1	reservoir	ammonium sulfate	150 (mM)