9H5Q

Crystal structure of Thermoanaerobacterales bacterium monoamine oxidase in complex with spermidine and its oxidation products

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-02-16
Detector	DECTRIS EIGER R 1M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	68.335, 94.456, 127.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.950 - 1.800
R-factor	0.15548
Rwork	0.154
R-free	0.18933
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.708
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.950	1.847
High resolution limit [Å]	1.800	1.800
Number of reflections	77126	4508
<I/σ(I)>	20.3	2.9
Completeness [%]	99.8
Redundancy	19.8
CC(1/2)	0.999	0.839

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