1S1A

Pterocarpus angolensis seed lectin (PAL) with one binding site free and one binding site containing the disaccharide Man(a1-3)ManMe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	295
Detector technology	CCD
Collection date	2003-10-20
Detector	MARRESEARCH
Wavelength(s)	0.81
Spacegroup name	P 21 21 21
Unit cell lengths	56.868, 83.212, 123.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.198
Rwork	0.185
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q8p
RMSD bond length	0.006
RMSD bond angle	1.647
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]	25.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.379
Number of reflections	54780
<I/σ(I)>	24.2	7.8
Completeness [%]	99.7	100
Redundancy	12.4	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	PEG8000, Na-cacodylate, Ca-acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K