4PDY

Crystal structure of aminoglycoside phosphotransferase from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446

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	CCD
Collection date	2012-08-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	37.522, 51.955, 145.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 1.350
R-factor	0.133
Rwork	0.131
R-free	0.17360
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.290
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.360
High resolution limit [Å]	1.350	4.620	1.350
Rmerge	0.067	0.045	0.535
Total number of observations	436171
Number of reflections	63586
<I/σ(I)>	10.4
Completeness [%]	99.7	95.9	96.5
Redundancy	6.9	6.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	287	0.5M potassium thiocyanate, 1.0M sodium acetate