8BEU

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

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	2021-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979264
Spacegroup name	P 1 21 1
Unit cell lengths	81.008, 114.544, 139.165
Unit cell angles	90.00, 104.58, 90.00

Refinement procedure

Resolution	46.290 - 2.270
R-factor	0.2082
Rwork	0.206
R-free	0.24700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	8beq
RMSD bond length	0.006
RMSD bond angle	1.445
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]	46.290	2.310
High resolution limit [Å]	2.270	2.270
Rmerge	0.132	0.689
Rmeas	0.144	0.744
Rpim	0.055	0.401
Number of reflections	113410	5618
<I/σ(I)>	9.1
Completeness [%]	99.9	99.9
Redundancy	6.8	7
CC(1/2)	0.993	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	20% PEG 3350, 0.2 M NaCl, 0.1 M BIS-TRIS pH 5.5 at 5.5 mg ml-1 concentration, 2:1 rate. Soaking: Mother liquor solution supplemented with 30 mM raffinose. 2h Cryocooling: Mother liquor solution supplemented with 20% glycerol