6MN5

Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with gentamicin C1A

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	2018-03-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97929
Spacegroup name	P 21 21 21
Unit cell lengths	77.609, 131.881, 266.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.401 - 2.580
R-factor	0.1874
Rwork	0.187
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sma
RMSD bond length	0.006
RMSD bond angle	0.879
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3026: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.620
High resolution limit [Å]	2.580	2.580
Rmerge	0.086	0.542
Rpim	0.048	0.371
Number of reflections	83508
<I/σ(I)>	14.08	1.08
Completeness [%]	95.7	82
Redundancy	3.7	2.5
CC(1/2)		0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES pH 7, 30% PEG 1k, 1 mM gentamicin