9TDU

Structure of Fructofuranosidase from Purpureocilum lilacinum

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	2024-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	C 2 2 21
Unit cell lengths	103.412, 111.693, 219.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.809 - 2.100
R-factor	0.19573
Rwork	0.194
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.438
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.160	0.696
Rpim	0.068	0.298
Number of reflections	73064	4355
<I/σ(I)>	14.4	4.4
Completeness [%]	98.3	97.05
Redundancy	12.2	11.7
CC(1/2)	0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.1M sodium acetate buffer, pH 4.6 and 2M ammonium sulfate using 2:1 ratio (protein:reservoir). Cryoprotected with 20% PEG400 and flash-cooled in liquid nitrogen.