3LDR

Crystal structure of fructosyltransferase (D191A) from A. japonicus in complex with 1-Kestose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2009-02-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	99.076, 110.431, 65.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.22
Rwork	0.215
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.284
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.056	0.339
Number of reflections	42810
<I/σ(I)>	28.6	4.3
Completeness [%]	98.4	96.8
Redundancy	6.8	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	8% PEG 3350, 0.1M Soduim acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	8% PEG 3350, 0.1M Soduim acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K