9MH5

Structure of N-3 aminoglycoside acetyltransferase XI (AAC(3)-XI) in complex with coenzyme A and acetylated sisomicin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	35.489, 100.555, 39.340
Unit cell angles	90.00, 106.55, 90.00

Refinement procedure

Resolution	50.280 - 1.460
R-factor	0.1546
Rwork	0.153
R-free	0.17680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.382
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.280	1.512
High resolution limit [Å]	1.460	1.460
Number of reflections	44823	4291
<I/σ(I)>	23.14
Completeness [%]	97.7
Redundancy	5.3
CC(1/2)	0.995	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	0.1M Sodium acetate pH 4.6, 10-45% (v/v) 2-methyl-2,4-pentanediol, 0-20% (v/v) PEG 400