8EEG

C. ammoniagenes monoamine oxidase (MAO) bound to dopamine

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	64.479, 98.857, 141.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 2.150
R-factor	0.2123
Rwork	0.211
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.128
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]	29.960	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.473	1.083
Rmeas	0.492	1.126
Rpim	0.133	0.305
Number of reflections	49977	4913
<I/σ(I)>	16.3	4.3
Completeness [%]	99.7	99.35
Redundancy	13.4	13.4
CC(1/2)	0.997	0.945

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