8XBP

Crystal structure of AtNATA1 bound to Acetyl 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	2023-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	148.290, 50.780, 60.210
Unit cell angles	90.00, 92.33, 90.00

Refinement procedure

Resolution	47.700 - 1.990
R-factor	0.25217
Rwork	0.250
R-free	0.28828
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.060
High resolution limit [Å]	1.990	1.990
Number of reflections	28289	7554
<I/σ(I)>	7.44
Completeness [%]	91.8
Redundancy	6.4
CC(1/2)	0.990	0.230

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2 M Calcium acetate tetrahydrate, 0.1 M Sodium cacodylate pH 6.5, and 20% w/v PEG 8000.