9XCD

The acarbose hydrolase from the human gut microbiota strain K. grimontii TD1 forms a complex with maltose (a product of maltotriose).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 65 2 2
Unit cell lengths	76.158, 76.158, 405.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.170 - 1.980
R-factor	0.2292
Rwork	0.226
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.949
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.170	2.030
High resolution limit [Å]	1.980	1.980
Number of reflections	44080	3178
<I/σ(I)>	9.3	2.4
Completeness [%]	89.7
Redundancy	9.3
CC(1/2)	0.993	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M Sodium sulfate, 0.1 M Bis-Tris propane PH=8.5, 20% w/v PEG3350