24FN

Dextran glucosidase SmDG E236S in complex with isomaltotriose

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	2020-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	134.475, 73.076, 134.796
Unit cell angles	90.00, 102.53, 90.00

Refinement procedure

Resolution	48.895 - 2.400
R-factor	0.1871
Rwork	0.186
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.897
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	2.540
High resolution limit [Å]	2.390	2.390
Number of reflections	100582	15983
<I/σ(I)>	7.56
Completeness [%]	99.5
Redundancy	3.43
CC(1/2)	0.990	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50mM Tris-HCl buffer (pH 7.5), 100mM CaCl2, 6% PEG 6000, 25mM isomaltotriose, 11mg/mL SmDG E236S