6NP5

AAC-VIa bound to Kanamycin B

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	86.746, 86.429, 50.119
Unit cell angles	90.00, 119.75, 90.00

Refinement procedure

Resolution	43.214 - 1.353
R-factor	0.1224
Rwork	0.121
R-free	0.13950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc6
Data reduction software	HKL-3000
Data scaling software	HKL-3000
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	1.380
High resolution limit [Å]	1.350	3.330	1.350
Rmerge	0.055	0.054	0.149
Rmeas	0.067	0.066	0.187
Rpim	0.037	0.037	0.111
Total number of observations	225392
Number of reflections	70419	4646	4323
<I/σ(I)>	14.4
Completeness [%]	98.9	96.3	91.4
Redundancy	3.2	3.2	2.5
CC(1/2)		0.989	0.956

Crystallization Conditions

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