7V1X

Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium in complex with beta-D-fructofuranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	98.439, 156.304, 100.744
Unit cell angles	90.00, 110.09, 90.00

Refinement procedure

Resolution	48.690 - 1.760
R-factor	0.153
Rwork	0.151
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kq7
RMSD bond length	0.012
RMSD bond angle	1.688
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.690	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.115	0.799
Rmeas	0.124	0.869
Rpim	0.047	0.337
Number of reflections	279590	13723
<I/σ(I)>	11.8	2.4
Completeness [%]	99.3
Redundancy	7
CC(1/2)	0.998	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% PEG3350, 0.2 M di-sodium tartrate