6CGD

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

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	90.080, 100.220, 93.990
Unit cell angles	90.00, 105.12, 90.00

Refinement procedure

Resolution	90.740 - 2.200
R-factor	0.17378
Rwork	0.172
R-free	0.20893
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB 5IQA
RMSD bond length	0.016
RMSD bond angle	1.658
Data reduction software	MOSFLM (0.1.27)
Data scaling software	Aimless (0.3.11)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.740	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.115	1.022
Rmeas	0.134	1.169
Rpim	0.089
Number of reflections	81903	4534
<I/σ(I)>	10.5	1.8
Completeness [%]	100.0	100
Redundancy	4.3	4.3
CC(1/2)	0.991	0.557

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