9MH6

Structure of N-3 aminoglycoside acetyltransferase XIa (AAC(3)-XIa) in complex with acetylamino coenzyme A and gentamicin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 1 21 1
Unit cell lengths	35.372, 100.626, 39.177
Unit cell angles	90.00, 106.62, 90.00

Refinement procedure

Resolution	37.540 - 1.370
R-factor	0.1632
Rwork	0.163
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.736
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.540	1.419
High resolution limit [Å]	1.370	1.370
Number of reflections	53576	5152
<I/σ(I)>	18.76
Completeness [%]	97.4
Redundancy	3.2
CC(1/2)	0.998	0.956

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