8EEM

C. ammoniagenes monoamine oxidase (MAO) bound to norepinephrine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	59.182, 118.327, 141.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.990 - 1.560
R-factor	0.1998
Rwork	0.200
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.099
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.990	1.616
High resolution limit [Å]	1.560	1.560
Rmerge	0.068	1.146
Rmeas	0.071	1.189
Rpim	0.019	0.314
Number of reflections	138779	13504
<I/σ(I)>	23.2	2.6
Completeness [%]	98.1	96.71
Redundancy	13.4	14
CC(1/2)	1.000	0.877

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