6MN2

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 31 2 1
Unit cell lengths	127.755, 127.755, 95.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.204 - 2.744
R-factor	0.2503
Rwork	0.249
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ht0
RMSD bond length	0.015
RMSD bond angle	1.086
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.289	2.209
Rpim	0.080	0.626
Number of reflections	23797	1183
<I/σ(I)>	11.7	1.02
Completeness [%]	100.0	100
Redundancy	13.9	13.3
CC(1/2)		0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2 M sodium sulfate, 0.1 M sodium cacodylate pH 6.5, 30% PEG 8K, 10 mM sisomicin