8EEJ

C. ammoniagenes monoamine oxidase (MAO) C424S variant bound to dopamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	60.207, 117.861, 141.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 1.540
R-factor	0.1834
Rwork	0.183
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8eei
RMSD bond length	0.009
RMSD bond angle	1.016
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]	29.820	1.596
High resolution limit [Å]	1.540	1.540
Rmerge	0.106	0.669
Rmeas	0.115	0.737
Rpim	0.044	0.303
Number of reflections	147936	14311
<I/σ(I)>	11.4	2.2
Completeness [%]	99.7	97.59
Redundancy	6.8	5.8
CC(1/2)	0.998	0.762

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