1UKG

Pterocarps angolensis lectin PAL in complex with methyl-alpha-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]	293
Detector technology	CCD
Collection date	2001-03-15
Detector	MARRESEARCH
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	56.820, 83.670, 123.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.700
R-factor	0.191
Rwork	0.189
R-free	0.21540 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.558
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	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.051	0.402
Total number of observations	210120 *
Number of reflections	64245 *
<I/σ(I)>	19.2	3.81
Completeness [%]	97.6	91.2
Redundancy	3.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.45 *	297	Loris, R., (2003) J.BIOL.CHEM., 278, 16297. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sugar	10 (mM)
3	1	drop	Tris-HCl	20 (mM)	pH7.45
4	1	reservoir	calcium acetate	200 (mM)
5	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
6	1	reservoir	PEG8000	20 (%(w/v))