9VYZ

Apg mutant enzyme W292A 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	2023-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 65 2 2
Unit cell lengths	76.218, 76.218, 402.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.070 - 2.180
R-factor	0.1916
Rwork	0.190
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.858
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]	47.070	2.250
High resolution limit [Å]	2.180	2.180
Number of reflections	37804	3200
<I/σ(I)>	19	3
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M Sodium chloride, 0.1 M BIS-TRIS pH=6.5, 1.5 M Ammonium chloride