2ARX

Pterocarpus angolensis seed lectin in complex with the decasaccharide NA2F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	293
Detector technology	CCD
Collection date	2004-10-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	56.780, 83.320, 122.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.179
Rwork	0.176
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q8o
RMSD bond length	0.006
RMSD bond angle	1.550
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]	15.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.054	0.362
Number of reflections	34598
<I/σ(I)>	12
Completeness [%]	85.8	82.7
Redundancy	3.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Na-cacodylate, CaCl2, PEG-8000, Man(a1-3)Man, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K