6NP2

AAC-VIa bound to Sisomicin

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	87.304, 86.007, 50.164
Unit cell angles	90.00, 119.74, 90.00

Refinement procedure

Resolution	43.201 - 1.200
R-factor	0.13
Rwork	0.130
R-free	0.13650
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	1.230
High resolution limit [Å]	1.200	2.960	1.200
Rmerge	0.067	0.065	0.473
Rmeas	0.081	0.080	0.584
Rpim	0.046	0.045	0.337
Total number of observations	292932
Number of reflections	97575	6289	6421
<I/σ(I)>	8.9
Completeness [%]	97.5	92.8	96
Redundancy	3	3	2.7
CC(1/2)		0.985	0.795

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.