2AEY

Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus in complex with 2,5 dideoxy-2,5-immino-D-mannitol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-07
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	138.860, 138.860, 182.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 3.270
R-factor	0.217
Rwork	0.217
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1st8
RMSD bond length	0.009
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	3.310
High resolution limit [Å]	3.250	3.250
Rmerge	0.187	0.426
Number of reflections	21485
Completeness [%]	76.2	99.2
Redundancy	3.4

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