9NNS

Flavin-dependent N5-ornithine monooxygenase EtcB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 2 21
Unit cell lengths	76.725, 83.306, 150.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.650 - 3.000
R-factor	0.2571
Rwork	0.253
R-free	0.35000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.650	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.048	0.982
Number of reflections	27141	2640
<I/σ(I)>	19.6	2.1
Completeness [%]	99.9
Redundancy	15.4
CC(1/2)	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	25% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M Tris, pH 8.5