8EEI

Unbound C. ammoniagenes monoamine oxidase (MAO)

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	2021-07-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	59.995, 118.855, 141.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.140 - 1.780
R-factor	0.1858
Rwork	0.185
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cr0
RMSD bond length	0.009
RMSD bond angle	1.024
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]	38.140	1.844
High resolution limit [Å]	1.780	1.780
Rmerge	0.159	1.547
Rmeas	0.167	1.634
Rpim	0.052	0.518
Number of reflections	96976	9316
<I/σ(I)>	14.2	2
Completeness [%]	99.5	96.93
Redundancy	10.3	9.7
CC(1/2)	0.998	0.695

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