8BET

Structure of D188A-fructofuranosidase from Rhodotorula dairenesis in complex 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	2021-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979264
Spacegroup name	P 1 21 1
Unit cell lengths	80.343, 112.813, 139.083
Unit cell angles	90.00, 104.74, 90.00

Refinement procedure

Resolution	45.690 - 2.380
R-factor	0.1861
Rwork	0.184
R-free	0.22220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	8beq
RMSD bond length	0.009
RMSD bond angle	1.439
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]	45.690	2.420
High resolution limit [Å]	2.380	2.380
Rmerge	0.114	0.678
Rmeas	0.124	0.731
Rpim	0.047	0.272
Number of reflections	96053	4777
<I/σ(I)>	11.8	3.5
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.996	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	18% PEG 3350, 0.2 M MgCl2, 0.1 M BIS-TRIS pH 5.5 at 5.1 mg mL-1 concentration, 1:1 rate. Soaking: Mother liquor solution supplemented with 30 mM sucrose. 1h 15 min. Cryocooling: Mother liquor solution supplemented with 20% glycerol