9H5Z

Crystal structure of Thermoanaerobacterales bacterium monoamine oxidase in complex with benzylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-05-29
Detector	DECTRIS EIGER R 1M
Wavelength(s)	0.873128
Spacegroup name	P 21 21 21
Unit cell lengths	69.473, 100.242, 120.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.170 - 2.200
R-factor	0.18151
Rwork	0.179
R-free	0.23956
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.637
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.170	2.257
High resolution limit [Å]	1.140	2.200
Number of reflections	43665	3723
<I/σ(I)>	9.4	2.5
Completeness [%]	100.0
Redundancy	13
CC(1/2)	0.996	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG4000, 100 mM TRIS/HCl buffer pH 8.5, 200 mM MgCl2