1Q8Q

Pterocarpus angolensis lectin (PAL) in complex with the dimannoside Man(alpha1-4)Man

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-04-19
Detector	MARRESEARCH
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	57.280, 83.370, 122.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.050
R-factor	0.187
Rwork	0.184
R-free	0.21790 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.521
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	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.119	0.390
Total number of observations	209488 *
Number of reflections	36449
<I/σ(I)>	11.7
Completeness [%]	99.9	99.2
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.45 *	293	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))