8RYI

Metformin hydrolase from Aminobacter niigataensis MD1 with urea in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	C 1 2 1
Unit cell lengths	163.990, 86.520, 168.410
Unit cell angles	90.00, 113.99, 90.00

Refinement procedure

Resolution	29.970 - 2.060
R-factor	0.1701
Rwork	0.169
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.970	2.080
High resolution limit [Å]	2.060	2.060
Number of reflections	130397	3627
<I/σ(I)>	10.31
Completeness [%]	97.9	97.8
Redundancy	7.18	7.47
CC(1/2)	0.998	0.357

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	20 % (w/v) PEG 3350, 100 mM Bis Tris Propane HCl pH 6.5, 200mM NaF