9IXW

Apg, crystal structure of acarbose hydrolase from the human gut flora K. grimontii TD1

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	2023-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 65 2 2
Unit cell lengths	75.798, 75.798, 401.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.280 - 2.320
R-factor	0.2072
Rwork	0.205
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vt9
RMSD bond length	0.007
RMSD bond angle	0.879
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]	34.280	2.400
High resolution limit [Å]	2.320	2.320
Rmerge	0.183	0.898
Number of reflections	31154	2967
<I/σ(I)>	8.2	2.2
Completeness [%]	100.0	100
Redundancy	7.7	8
CC(1/2)	0.993	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289.15	0.02 M magnesium chloride hexahydrate, 0.1 M HEPES (pH 7.0), and 22% w/v poly( acrylic acid sodium salt) 5100