6MN3

Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-17
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	114.170, 55.327, 94.342
Unit cell angles	90.00, 102.63, 90.00

Refinement procedure

Resolution	29.769 - 2.400
R-factor	0.1785
Rwork	0.176
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sma
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.141	0.997
Rpim	0.080	0.572
Number of reflections	22593	1154
<I/σ(I)>	9.98	1.25
Completeness [%]	99.9	99.9
Redundancy	3.9	3.9
CC(1/2)		0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	298	0.1 M Tris pH 8.8, 0.2 M magnesium chloride, 25% (w/v) PEG 3350