4ORK

Crystal Structure of the Phosphotransferase Domain of the Bifunctional Aminoglycoside Resistance Enzyme AAC(6')-Ie-APH(2'')-Ia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	90.685, 95.697, 91.149
Unit cell angles	90.00, 104.88, 90.00

Refinement procedure

Resolution	36.200 - 2.300
R-factor	0.1882
Rwork	0.185
R-free	0.24490
RMSD bond length	0.009
RMSD bond angle	1.204
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.200	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.038	0.510
Number of reflections	62509
<I/σ(I)>	13.6	1.6
Completeness [%]	93.3	96.6
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M MgCl2, 0.1 M Hepes, pH 7.5, 30% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 277K