1N3P

Pterocarpus angolensis lectin in complex with sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2001-10-24
Detector	MARRESEARCH
Wavelength(s)	0.84
Spacegroup name	P 21 21 21
Unit cell lengths	56.830, 83.550, 123.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 * - 2.100
R-factor	0.1813
Rwork	0.178
R-free	0.21700 *
Structure solution method	MOLECULAR REPLACEMENT
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]	5.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.477
Total number of observations	115196 *
Number of reflections	34823	3394 *
<I/σ(I)>	10.99
Completeness [%]	99.5	99.2
Redundancy	3.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.45 *	293	PEG-8000, Na-cacodylate, Ca-acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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))