9V0I

Apg mutant enzyme D448N of the human gut flora K. grimontii TD1 acarbose hydrolase

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	2025-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 65 2 2
Unit cell lengths	75.499, 75.499, 401.388
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.750 - 2.300
R-factor	0.2197
Rwork	0.217
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.897
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]	37.750	2.300
High resolution limit [Å]	2.300	2.300
Rmerge	0.109	0.872
Number of reflections	31203	3015
<I/σ(I)>	17.2	3.2
Completeness [%]	99.3	100
Redundancy	10.1	10.3
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289.15	0.1M BICINE 1.6M Ammonium sulfate