8IUB

Crystal structure of GH66 endodextranase from Flavobacterium johnsoniae in complex with isomaltotriose

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	2022-05-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.911, 91.058, 137.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.570 - 1.180
Rwork	0.163
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.648
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.063	0.975
Rmeas	0.069	1.065
Rpim	0.019	0.302
Number of reflections	173012	173012
<I/σ(I)>	19	2.5
Completeness [%]	99.9
Redundancy	12.5
CC(1/2)	1.000	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM Tris-HCl, pH 8.5-9.0, 200mM lithium sulfate, 20% PEG 4000