9IXH

Apg mutant enzyme D448A 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	2024-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98655
Spacegroup name	P 65 2 2
Unit cell lengths	75.797, 75.797, 405.549
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.430
R-factor	0.218
Rwork	0.217
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vt9
RMSD bond length	0.002
RMSD bond angle	0.566
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.430
High resolution limit [Å]	2.430	2.430
Rmerge	0.107	0.107
Number of reflections	27421	3026
<I/σ(I)>	13.6	2.3
Completeness [%]	99.8	100
Redundancy	8.2	8.6
CC(1/2)	0.998	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289.15	0.7 M Sodium citrate tribasic dihydrate 0.1M Tris, PH=8.5