7KES

Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in complex with apramycin and CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	127.766, 127.766, 94.645
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.190 - 2.360
R-factor	0.1924
Rwork	0.191
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ht0
RMSD bond length	0.005
RMSD bond angle	1.337
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.400
High resolution limit [Å]	2.360	2.360
Rmerge	0.091	1.427
Rpim	0.031	0.505
Number of reflections	36915	1816
<I/σ(I)>	21.9	1
Completeness [%]	100.0	100
Redundancy	9.9
CC(1/2)		0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% PEG 3350, 50mM ADA pH 7, 10 mM apramycin