9MGT

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-08
Detector	Bruker PHOTON II
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	35.179, 101.598, 39.828
Unit cell angles	90.00, 106.11, 90.00

Refinement procedure

Resolution	32.070 - 1.960
R-factor	0.1462
Rwork	0.143
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.070	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	19238	1900
<I/σ(I)>	18.58
Completeness [%]	99.2
Redundancy	18.5
CC(1/2)	0.998	0.945

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