8D27

Arginase Domain of Ornithine Decarboxylase/Arginase from Fusobacterium nucleatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-31
Detector	RAYONIX MX300HE
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	44.818, 78.217, 73.530
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	44.820 - 2.250
R-factor	0.1944
Rwork	0.180
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.146	0.075	0.488
Rmeas	0.171	0.087	0.587
Rpim	0.089	0.045	0.323
Total number of observations	81549
Number of reflections	23357	1223	998
<I/σ(I)>	6
Completeness [%]	97.4	99	83.8
Redundancy	3.5	3.7	2.9
CC(1/2)		0.988	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.07 M sodium acetate pH 4.6, 12% PEG 4000 and 25% glycerol