8SP2

Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	103.530, 107.880, 114.510
Unit cell angles	93.43, 97.63, 98.11

Refinement procedure

Resolution	74.608 - 2.200
Rwork	0.212
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.314
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	2.400	2.300
High resolution limit [Å]	2.200	2.300	2.200
Number of reflections	224389	24279	27288
<I/σ(I)>	12.75	2.2	1.59
Completeness [%]	91.2	93.9	89
Redundancy	2.0558
CC(1/2)	0.999	0.845	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	1 uL 10 mg/mL protein + 1 uL 13.5% w/v PEG3350, 0.1 M Bis-Tris propane, 0.2 M NaNO3, pH 7.5