7S3F

Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.1272
Spacegroup name	P 21 21 21
Unit cell lengths	75.040, 86.900, 154.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.539 - 2.490
R-factor	0.1817
Rwork	0.180
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oo0
RMSD bond length	0.006
RMSD bond angle	0.801
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.550
High resolution limit [Å]	2.490	2.490
Number of reflections	35957	2583
<I/σ(I)>	11.6
Completeness [%]	99.7
Redundancy	5.2
CC(1/2)	0.990	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	2% tacsimate, 0.1 M sodium citrate tribasic dihydrate pH 5.6, and 16% w/v polyethylene glycol 3350