4NDU

Crystal structure of L. decastes alpha-galactosyl-binding lectin in complex with alpha-methylgalactoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-03
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.931
Spacegroup name	P 21 21 2
Unit cell lengths	62.098, 75.035, 44.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.762 - 1.301
R-factor	0.1751
Rwork	0.173
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndt
RMSD bond length	0.011
RMSD bond angle	1.486
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		1.380
High resolution limit [Å]	1.300	3.830	1.300
Rmerge	0.062	0.018	0.644
Number of reflections	50868	2158	7972
<I/σ(I)>	15.9	54.36	2.25
Completeness [%]	98.5	97.8	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M lithium sulfate, 0.1 M Tris-HCl, 30% w/v PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K