8XJ5

Crystal structure of AtNATA1 bound to Ornithine and CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	46.040, 74.070, 110.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.530 - 2.040
R-factor	0.20405
Rwork	0.200
R-free	0.25102
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.530	2.110
High resolution limit [Å]	2.040	2.040
Number of reflections	24570	2288
<I/σ(I)>	8.13
Completeness [%]	99.4	94.12
Redundancy	13.3
CC(1/2)	0.990	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M Lithium sulfate, 0.1 M BIS-Tris pH 5.5, and 25% w/v PEG 3350