8EEF

C. ammoniagenes monoamine oxidase (MAO) bound to octopamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	64.100, 98.691, 143.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 2.210
R-factor	0.198
Rwork	0.196
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.097
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.980	2.289
High resolution limit [Å]	2.210	2.210
Rmerge	0.220	0.897
Rmeas	0.224	0.916
Rpim	0.045	0.183
Number of reflections	46205	4531
<I/σ(I)>	13.8	3.3
Completeness [%]	99.9	99.87
Redundancy	25.6	24.8
CC(1/2)	0.998	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	10 - 15% w/v PEG-3350, 0.1 M sodium malonate, pH 5.0