6FJE

Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 2
Unit cell lengths	74.834, 205.626, 146.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.210 - 1.850
R-factor	0.16939
Rwork	0.168
R-free	0.18930
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ann
RMSD bond length	0.008
RMSD bond angle	1.453
Data reduction software	XDS (0.52)
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.690	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.054	0.541
Rmeas	0.058	0.585
Rpim	0.022	0.221
Number of reflections	192473	9492
<I/σ(I)>	21.1	3.9
Completeness [%]	99.9	99.9
Redundancy	6.7	6.9
CC(1/2)	0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.1 M Sodium Citrate tribasic dihydrate