8SNK

Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 mutant (MfmA/D188N)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	102.700, 162.300, 152.700
Unit cell angles	90.00, 101.10, 90.00

Refinement procedure

Resolution	19.753 - 1.850
Rwork	0.188
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.646
Data reduction software	XDS (VERSION Jan 10, 2022 BUILT=20220820)
Data scaling software	XSCALE (VERSION Jan 10, 2022 BUILT=20220820)
Phasing software	MOLREP (Version 11.0)
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000	2.050	1.950
High resolution limit [Å]	1.850	1.950	1.850
Number of reflections	207175	24782	30277
<I/σ(I)>	10.48	4.3	2.81
Completeness [%]	99.2	99.7	99.8
Redundancy	4.5067
CC(1/2)	0.998	0.969	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	1 uL 10 mg/mL protein + 1 uL 20% w/v PEG3350, 0.1 M Bis-Tris propane, 0.2 M NaNO3, pH 7.5