9FOS

The structure of ornithine decarboxylase from Leishmania infantum in complex with PLP and DFMO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.999900
Spacegroup name	P 31 2 1
Unit cell lengths	117.870, 117.870, 82.175
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.612 - 3.301
Rwork	0.193
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.672
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.890	47.890	3.570
High resolution limit [Å]	3.300	8.730	3.300
Rmerge	0.204	0.032	1.851
Rmeas	0.220	0.034	1.998
Rpim	0.081	0.013	0.744
Number of reflections	10203	589	2082
<I/σ(I)>	12
Completeness [%]	99.9	97.4	100
Redundancy	13.4	10.9	13.7
CC(1/2)	0.998	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20,000