8WY1

The structure of cyclization domain in cyclic beta-1,2-glucan synthase from Thermoanaerobacter italicus

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	2021-10-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	172.719, 172.719, 395.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.600 - 3.900
R-factor	0.19991
Rwork	0.198
R-free	0.23237
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.597
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.600	4.010
High resolution limit [Å]	3.900	3.900
Number of reflections	55512	4497
<I/σ(I)>	9.8
Completeness [%]	100.0
Redundancy	25
CC(1/2)	0.992	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M sodium cacodylate, 1.3M sodium acetate