9WIY

Apg mutant enzyme D336A 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	2024-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 65 2 2
Unit cell lengths	75.778, 75.778, 402.783
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.890 - 2.430
R-factor	0.189
Rwork	0.187
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.887
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]	37.890	2.530
High resolution limit [Å]	2.430	2.430
Number of reflections	27036	2981
<I/σ(I)>	13
Completeness [%]	99.7
Redundancy	8.2
CC(1/2)	0.998	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	0.2 M Sodium malonate dibasic monohydrate, 0.1 M BIS-TRIS propane pH=6.5, 20 % w/v PEG 3350