6S1T

Structure of beta-fructofuranosidase from Schwanniomyces occidentalis complexed with sucrose

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	2016-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979260
Spacegroup name	P 1 21 1
Unit cell lengths	60.903, 93.201, 116.615
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	49.740 - 2.090
R-factor	0.1768
Rwork	0.175
R-free	0.21362
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kf3
RMSD bond length	0.006
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	Aimless (7.0.016)
Phasing software	MOLREP (7.0.016)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.740	2.130
High resolution limit [Å]	2.090	2.090
Rmerge	0.138	0.569
Rmeas	0.156	0.640
Rpim	0.070	0.286
Number of reflections	74544	4621
<I/σ(I)>	8.6
Completeness [%]	99.9	99.8
Redundancy	5	5
CC(1/2)	0.981	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	20% PEG 6000, 0.2 M MgCl2, and 0.1 M HEPES pH 7.0, by mixing 1 uL of protein with 0.5 uL of mother liquor. Crystals were soaked in mother liquor supplemented with 83 mM fructosyl-manitol, contaminated with sucrose. Cryoprotectant mother liquor supplemented with 25% ethylene glycol.