24FL

Dextran glucosidase SmDG E236Q in complex with panose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	73.216, 84.068, 104.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.807 - 2.600
R-factor	0.2113
Rwork	0.204
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.935
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	20372	3178
<I/σ(I)>	9.94
Completeness [%]	99.8
Redundancy	6.63
CC(1/2)	0.996	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	50mM Tris-HCl buffer (pH 7.5), 100mM CaCl2, 6% PEG 6000, 40mM panose, 6.5mg/mL SmDG E236Q