8BES

Structure of D188A-fructofuranosidase from Rhodotorula dairenensis in complex with fructose

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	2021-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	P 1 21 1
Unit cell lengths	80.846, 112.693, 139.617
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	45.740 - 1.860
R-factor	0.18566
Rwork	0.184
R-free	0.21691
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	8beq
RMSD bond length	0.004
RMSD bond angle	1.363
Data reduction software	XDS (Version February 5, 2021)
Data scaling software	XDS (Version February 5, 2021)
Phasing software	REFMAC (5.8.0267)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.740	1.890
High resolution limit [Å]	1.860	1.860
Rmerge	0.071	0.612
Rmeas	0.078
Rpim	0.033	0.399
Number of reflections	202338	10039
<I/σ(I)>	14	2.8
Completeness [%]	99.9	100
Redundancy	5.5	5.7
CC(1/2)	0.998	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	18% PEG 3350, 0.2 M MgCl2, 0.1M Bis-Tris pH5.5 at 5.1 mg ml-1 concentration in presence of 20 mM fructose, 1:1 rate Cryocooling: Mother liquor solution supplemented with 20 mM fructose and 20% glycerol