7LAP

Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 63 2 2
Unit cell lengths	161.489, 161.489, 138.672
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.390 - 2.040
R-factor	0.1669
Rwork	0.165
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mn2
RMSD bond length	0.012
RMSD bond angle	1.118
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.040	2.050
Rmerge	0.098	1.074
Rpim	0.024	0.396
Number of reflections	67078	3063
<I/σ(I)>	31.42	1.08
Completeness [%]	99.5	92.9
Redundancy	17.2	6.6
CC(1/2)	0.996	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% (w/v) PEG3350, 0.2 M sodium tartrate, 0.25 M sodium formate Cryoprotectant: 6% (v/v) PEG200, paratone