7LAO

Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97890
Spacegroup name	P 21 21 21
Unit cell lengths	43.174, 61.434, 112.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.320 - 1.920
R-factor	0.1823
Rwork	0.180
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc3
RMSD bond length	0.014
RMSD bond angle	1.260
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.080	0.332
Rpim	0.037	0.159
Number of reflections	22563	935
<I/σ(I)>	26.2	3.13
Completeness [%]	95.8	79.8
Redundancy	5.4
CC(1/2)	0.998	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M citric acid, Bis-tris propane pH 6.4, 25% (w/v) PEG3350, 2 mM magnesium chloride, 1 mM tobramycin