6CAV

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

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	89.990, 98.340, 93.220
Unit cell angles	90.00, 105.24, 90.00

Refinement procedure

Resolution	89.940 - 2.600
R-factor	0.19445
Rwork	0.192
R-free	0.24395
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB 5IQA
RMSD bond length	0.017
RMSD bond angle	1.836
Data reduction software	iMOSFLM (0.1.27)
Data scaling software	Aimless (0.3.11)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.340	2.680
High resolution limit [Å]	2.600	2.600
Rmerge	0.162	1.072
Rmeas	0.194	1.273
Rpim	0.132	0.856
Number of reflections	48468	4406
<I/σ(I)>	4.7	1.2
Completeness [%]	100.0	99.8
Redundancy	3.7	3.5
CC(1/2)	0.978	0.358

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