7BJC

Inulosucrase from Halalkalicoccus jeotgali in complex with sucrose

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)	0.890
Spacegroup name	P 1 21 1
Unit cell lengths	117.746, 141.804, 169.318
Unit cell angles	90.00, 97.54, 90.00

Refinement procedure

Resolution	60.600 - 3.110
R-factor	0.2446
Rwork	0.243
R-free	0.26630
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]	60.600	3.280
High resolution limit [Å]	3.110	3.110
Rmeas	0.147
Rpim	0.353	0.766
Number of reflections	76873	3844
<I/σ(I)>	4.5
Completeness [%]	98.0	83
Redundancy	6.8
CC(1/2)	0.945	0.769

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