7US3

Structure of Putrescine N-hydroxylase Involved Complexed with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	124.827, 126.314, 140.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.790 - 2.200
R-factor	0.1837
Rwork	0.182
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xbb
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	140.250	140.250	2.240
High resolution limit [Å]	2.200	12.070	2.200
Rmerge	0.249	0.079	1.383
Rmeas	0.268	0.086	1.502
Rpim	0.095	0.033	0.570
Total number of observations	902459	5017	32196
Number of reflections	111523	787	4908
<I/σ(I)>	8.8	26.8	1.3
Completeness [%]	99.3	98.1	89
Redundancy	8.1	6.4	6.6
CC(1/2)	0.987	0.987	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.05 M ammonium sulfate, 0.05 M Bis-Tris pH 6.5, and 30% pentaerythritol ethoxylate (15/4 EO/OH)