9MGU

Structure of aminoglycoside acetyltransferase AAC(3)-Ia in complex with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	57.459, 57.459, 123.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.900 - 2.340
R-factor	0.2142
Rwork	0.212
R-free	0.25840
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.423
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.900	2.670
High resolution limit [Å]	2.340	2.340
Number of reflections	8695	5576
<I/σ(I)>	7.22	1.98
Completeness [%]	92.8
Redundancy	8.4
CC(1/2)	0.990	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	10 mg/mL AAC(3)-Ia with a 10x molar excess of gentamicin and CoASH in 0.1 M Tris Ph 8.5, 0.05 M MgCl2, 20% EtOH, 35% PEG 400.