8X3G

Crystal structure of metformin hydrolase from Aminobacter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2023-06-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	90.430, 152.522, 173.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 1.840
R-factor	0.154
Rwork	0.152
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.479
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.470	1.880
High resolution limit [Å]	1.840	1.840
Number of reflections	205966	10015
<I/σ(I)>	12.7
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.995	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.15 M calcium chloride dihydrate, 0.1 M MES buffer system (pH 6.2), 5% (v/v) glycerol, 15% (v/v) PEG smear broad