4E8O

Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-07
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	39.963, 46.048, 46.082
Unit cell angles	102.55, 97.13, 111.21

Refinement procedure

Resolution	23.497 - 2.138
R-factor	0.1883
Rwork	0.186
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s3z
RMSD bond length	0.004
RMSD bond angle	0.805
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.180
High resolution limit [Å]	2.138	2.138
Number of reflections	15384
<I/σ(I)>	11.65	2.05
Completeness [%]	95.6	92
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	20% PEG5000 MME, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K