8EEN

C. ammoniagenes monoamine oxidase (MAO) C424S variant

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)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	60.229, 117.835, 141.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 1.460
R-factor	0.1856
Rwork	0.185
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.967
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]	29.830	1.514
High resolution limit [Å]	1.460	1.460
Rmerge	0.096	0.562
Rmeas	0.105	0.651
Rpim	0.041	0.998
Number of reflections	173307	16432
<I/σ(I)>	11.8	1.8
Completeness [%]	99.5	95.37
Redundancy	6.4	3.9
CC(1/2)	0.998	0.732

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