7BJ4

Inulosucrase from Halalkalicoccus jeotgali bound to kestose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	122.299, 142.969, 172.870
Unit cell angles	90.00, 98.64, 90.00

Refinement procedure

Resolution	106.540 - 2.720
R-factor	0.1988
Rwork	0.197
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d47
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.540	2.820
High resolution limit [Å]	2.720	2.720
Rpim	0.097
Number of reflections	93379	4668
<I/σ(I)>	7.7	1.7
Completeness [%]	99.2	73.5
Redundancy	7
CC(1/2)	0.991	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M potassium/sodium tartrate, 0.1 M Bis Tris propane-HCl, pH 7.5 and 20 % w/v PEG 3350