8XJF

Crystal structure of Arabidopsis N-amino acetyltransferase 2 bound to HEPES, Acetyl CoA, GABA, and glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	60.060, 69.740, 104.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.550 - 2.000
R-factor	0.19008
Rwork	0.186
R-free	0.23258
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]	45.550	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	14957	1088
<I/σ(I)>	6.2
Completeness [%]	99.2
Redundancy	10.6
CC(1/2)	0.990	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES pH 7.5, and 30% v/v PEG 400