6MN1

Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-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	127.337, 127.337, 95.271
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.120 - 2.250
R-factor	0.178
Rwork	0.177
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ht0
RMSD bond length	0.004
RMSD bond angle	0.811
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((DEV_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.143	2.007
Rpim		0.577
Number of reflections	42543
<I/σ(I)>	20.48	1.48
Completeness [%]	100.0
Redundancy	17.4	12.8
CC(1/2)		0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.2 M ammonium sulfate, 0.1 M sodium citrate pH 5.6, 35% PEG5K, 10 mM gentamicin