7CSJ

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

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	2019-10-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.486, 60.212, 116.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.950 - 2.168
R-factor	0.201
Rwork	0.199
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7crm
RMSD bond length	0.016
RMSD bond angle	1.331
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	2.210
High resolution limit [Å]	2.168	2.170
Rmerge	0.078	0.325
Number of reflections	20679	791
<I/σ(I)>	37.985	4.46
Completeness [%]	97.1	76.5
Redundancy	5.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1M sodium citrate: citric acid (pH 5.5), 20% (w/v) PEG 3000