6NP3

AAC-VIa bound to Gentamicin

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	87.196, 86.302, 50.140
Unit cell angles	90.00, 119.86, 90.00

Refinement procedure

Resolution	43.227 - 1.150
R-factor	0.1279
Rwork	0.127
R-free	0.13910
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	0.032	0.024	0.401
Rmeas	0.039	0.029	0.485
Rpim	0.022	0.016	0.269
Number of reflections	114191	7596	7557
<I/σ(I)>	7.5
Completeness [%]	99.2	97.3	99.2
Redundancy	3	3.1	3
CC(1/2)		0.998	0.874

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.