5IQE

Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Neomycin B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-26
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	90.180, 100.360, 93.940
Unit cell angles	90.00, 105.30, 90.00

Refinement procedure

Resolution	90.610 - 2.500
R-factor	0.17108
Rwork	0.169
R-free	0.21450
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5byl
RMSD bond length	0.013
RMSD bond angle	1.487
Data reduction software	iMOSFLM (0.1.27)
Data scaling software	Aimless (0.3.11)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.610	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.114	1.047
Number of reflections	55974
<I/σ(I)>	10.6	2
Completeness [%]	100.0	100
Redundancy	4.7	4.7
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	80-120mM MgCl2, 8% glycerol, 10% PEG 3350, 100mM HEPES pH 7.5