8IBK

Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258G in complex with maltotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	56.965, 88.991, 128.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.980 - 1.690
R-factor	0.183
Rwork	0.182
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zcd
RMSD bond length	0.006
RMSD bond angle	0.901
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.690	1.690
Rmeas	0.112	0.981
Number of reflections	72935	11510
<I/σ(I)>	17.22	1.99
Completeness [%]	99.6
Redundancy	11.8
CC(1/2)	0.999	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	10 mM G3, 0.2 M CaCl2, and 20% polyethylene glycol 3350