6C5U

Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Ribostamycin, Alternate form

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	90.249, 100.280, 94.040
Unit cell angles	90.00, 105.29, 90.00

Refinement procedure

Resolution	90.710 - 2.410
R-factor	0.18267
Rwork	0.180
R-free	0.22716
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5iqa
RMSD bond length	0.018
RMSD bond angle	1.846
Data reduction software	MOSFLM (0.1.27)
Data scaling software	Aimless (0.3.11)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.710	2.480
High resolution limit [Å]	2.420	2.420
Rmerge	0.070	1.543
Rmeas	0.097	1.807
Rpim	0.067	1.234
Number of reflections	62129	4552
<I/σ(I)>	8.5	1
Completeness [%]	100.0	99.8
Redundancy	3.8	3.6
CC(1/2)	0.998	0.173

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