6CGG

Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin

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	2016-08-23
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	90.330, 99.780, 93.510
Unit cell angles	90.00, 105.43, 90.00

Refinement procedure

Resolution	90.140 - 2.400
R-factor	0.18026
Rwork	0.178
R-free	0.22330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB 5IQA
RMSD bond length	0.018
RMSD bond angle	1.910
Data reduction software	iMOSFLM (0.1.27)
Data scaling software	Aimless (0.3.11)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.780	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.115	1.024
Rmeas	0.142	1.198
Rpim	0.098	0.793
Number of reflections	62642	4597
<I/σ(I)>	6.1	1
Completeness [%]	100.0	100
Redundancy	3.8	3.7
CC(1/2)	0.992	0.383

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