8BEQ

Structure of fructofuranosidase from Rhodotorula dairenensis

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	2020-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	C 2 2 21
Unit cell lengths	103.383, 108.235, 196.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.450 - 2.070
R-factor	0.1736
Rwork	0.172
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eqv
RMSD bond length	0.008
RMSD bond angle	1.424
Data reduction software	XDS (Version January 31, 2020)
Data scaling software	XDS (Version January 31, 2020)
Phasing software	MOLREP (7.0.077)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.450	2.120
High resolution limit [Å]	2.070	2.070
Rmerge	0.145	0.666
Rmeas	0.161	0.742
Rpim	0.069	0.321
Number of reflections	66921	4459
<I/σ(I)>	9.9	3.5
Completeness [%]	99.5	99.9
Redundancy	5.5	5.4
CC(1/2)	0.993	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG 3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5. Cryocooling: mother liquor solution supplemented with 15% glycerol. 8 mg mL-1 protein concentration and 2:1 (protein: reservoir) rate.