4QC6

Crystal structure of aminoglycoside 6'-acetyltransferase-Ie

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	2011-12-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	52.830, 89.720, 96.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.941 - 1.300
R-factor	0.1476
Rwork	0.147
R-free	0.16610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.292
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.941	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.064	0.371
Number of reflections	112448
<I/σ(I)>	13.1	2.4
Completeness [%]	98.7	87.2
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	unbuffered 0.2 M ammonium formate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 278K