7CS1

Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with Coenzyme A and Neomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	77.838, 94.947, 61.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.890 - 1.966
R-factor	0.2077
Rwork	0.205
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7crm
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	1.966	2.000
Rmerge	0.085	0.341
Number of reflections	30481	1537
<I/σ(I)>	47
Completeness [%]	94.0	96.7
Redundancy	11.5	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M potassium acetate, 20% (w/v) PEG 3350