6FJG

Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and 4-nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	74.505, 205.652, 146.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.330 - 1.730
R-factor	0.16354
Rwork	0.163
R-free	0.17822
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ann
RMSD bond length	0.007
RMSD bond angle	1.443
Data reduction software	XDS (0.72)
Data scaling software	Aimless (0.5.26)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.170
High resolution limit [Å]	1.730
Rmerge	0.062
Rmeas	0.067
Rpim	0.026
Number of reflections	234346	11421
<I/σ(I)>	16.7	3.1
Completeness [%]	100.0	100
Redundancy	6.8
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.2M Sodium Citrate tribasic dihydrate