9UNS

Apg mutant enzyme D448N of acarbose hydrolase from human gut flora K. grimontii TD1,complex with acarbose

This is a non-PDB format compatible entry.

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	2025-03-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	75.645, 75.645, 401.935
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.840 - 1.910
R-factor	0.2106
Rwork	0.208
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.999
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]	46.840	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.140	0.943
Number of reflections	54487	3577
<I/σ(I)>	11.7	2.4
Completeness [%]	99.8	100
Redundancy	10.6
CC(1/2)	0.995	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289.15	0.02M Magnesium chloride hexahydrate 0.1M HEPES pH 7.5 22% w/v Poly(acrylic acid sodium salt) 5100