6NP4

AAC-VIa bound to Tobramycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	87.642, 86.157, 50.241
Unit cell angles	90.00, 119.72, 90.00

Refinement procedure

Resolution	43.273 - 1.151
R-factor	0.1255
Rwork	0.125
R-free	0.13940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc6
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.180
High resolution limit [Å]	1.150	2.840	1.150
Rmerge	0.040	0.032	0.403
Rmeas	0.048	0.039	0.484
Rpim	0.026	0.021	0.264
Total number of observations	383601
Number of reflections	114083	7631	7564
<I/σ(I)>	7.8
Completeness [%]	99.8	98.5	99.8
Redundancy	3.4	3.3	3.3
CC(1/2)		0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		279	15-20% polyethylene glycol (PEG) 8000,0.1 M Tris, pH 8.5 and 0.3 M MgCl2.