6CH4

Aminoglycoside Phosphotransferase (2'')-Ia S376N mutant in complex with GMPPNP and Magnesium

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	2014-02-25
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	90.430, 99.910, 93.200
Unit cell angles	90.00, 105.17, 90.00

Refinement procedure

Resolution	58.890 - 2.300
R-factor	0.17209
Rwork	0.170
R-free	0.20970
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB 5IQA
RMSD bond length	0.021
RMSD bond angle	2.014
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]	58.890	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.133	0.965
Rmeas	0.155	1.110
Rpim	0.104	0.741
Number of reflections	71190	4576
<I/σ(I)>	9.7	1.9
Completeness [%]	100.0	100
Redundancy	4.3	4.3
CC(1/2)	0.987	0.434

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