9W9M

Apg mutant enzyme Y295A of the human gut flora K. grimontii TD1 acarbose hydrolas

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	2023-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 65 2 2
Unit cell lengths	75.438, 75.438, 400.985
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.790
R-factor	0.1938
Rwork	0.191
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.935
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]	20.000	2.940
High resolution limit [Å]	2.790	2.790
Number of reflections	17419	2430
<I/σ(I)>	11.2	2.4
Completeness [%]	98.0
Redundancy	8.6
CC(1/2)	0.995	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289.15	0.1 M BIS-TRIS pH=5.5, 2.0 M Ammonium chloride