7V1V

Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium, ligand-free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	98.552, 156.970, 100.909
Unit cell angles	90.00, 109.93, 90.00

Refinement procedure

Resolution	49.690 - 1.960
R-factor	0.1546
Rwork	0.153
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kq7
RMSD bond length	0.009
RMSD bond angle	1.587
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]	49.690	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.098	0.432
Rmeas	0.116	0.518
Rpim	0.061	0.283
Number of reflections	206183	10181
<I/σ(I)>	10.3	2.9
Completeness [%]	99.9	99.9
Redundancy	3.5	3.2
CC(1/2)	0.994	0.800

Crystallization Conditions

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