2ADD

Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus in complex with sucrose

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	2004-12-17
Detector	MARRESEARCH
Wavelength(s)	0.931
Spacegroup name	P 41 21 2
Unit cell lengths	139.320, 139.320, 182.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 2.500
R-factor	0.197
Rwork	0.197
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1st8
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.071	0.289
Number of reflections	62661
Completeness [%]	91.8	100
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	sodium potassium phosphate , potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K