8XVQ

Crystal structure of inulosucrase from Lactobacillus reuteri 121 in complex with fructose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97854
Spacegroup name	P 21 21 21
Unit cell lengths	70.240, 99.920, 153.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.540 - 2.140
R-factor	0.1801
Rwork	0.178
R-free	0.22713
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.118	0.346
Rmeas	0.123	0.375
Rpim	0.035	0.143
Total number of observations		25239
Number of reflections	59439	4085
<I/σ(I)>	17	5.7
Completeness [%]	98.8
Redundancy	11.5	6.2
CC(1/2)	0.997	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M HEPES pH 7.5 25% w/v Polyethylene glycol 3,350