8WG2

Crystal structure of GH97 glucodextranase mutant E509Q 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	2022-06-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	308.210, 103.620, 95.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 2.450
R-factor	0.18743
Rwork	0.185
R-free	0.23398
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.342
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.160	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.195	1.302
Rmeas	0.212	1.417
Rpim	0.081	0.556
Number of reflections	113578	69191
<I/σ(I)>	12.9	2.4
Completeness [%]	100.0	100
Redundancy	13	12.5
CC(1/2)	0.996	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	12% PEG20000, 200 mM sodium cacodylate buffer (pH 6.0), 200 mM magnesium acetate, 10 mM glucose