8YIE

Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarbose

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	2021-10-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	51.364, 66.190, 148.060
Unit cell angles	90.00, 95.74, 90.00

Refinement procedure

Resolution	49.110 - 1.700
R-factor	0.1653
Rwork	0.165
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond angle	5.736
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	1.810
High resolution limit [Å]	1.700	1.700
Rmerge		0.564
Rmeas		0.672
Number of reflections	107839	17080
<I/σ(I)>	10	2.08
Completeness [%]	99.5
Redundancy	3.37
CC(1/2)	0.997	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	5 mM acarbose, 0.1 M lithium acetate, 10% (w/v) polyethylene glycol 3400, and 5 mM HEPES-NaOH buffer (pH 7.0)