6MN0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-09-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	108.078, 159.620, 143.321
Unit cell angles	90.00, 94.56, 90.00

Refinement procedure

Resolution	24.931 - 2.400
R-factor	0.1787
Rwork	0.178
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ht0
RMSD bond length	0.005
RMSD bond angle	1.770
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]	25.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.094	0.372
Rpim	0.062	0.249
Number of reflections	94732	4670
<I/σ(I)>	10.75	2.09
Completeness [%]	99.9	100
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	2 M ammonium sulfate, 0.1 M bis-Tris pH 5.5, 10 mM Neomycin