6P06

Ternary structure of the E52D mutant of ANT-4 with Neomycin and AMPCPP

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	2017-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	58.710, 97.950, 100.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.975 - 2.300
R-factor	0.1829
Rwork	0.181
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.219
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.140	0.528
Rmeas	0.163	0.671
Rpim	0.081	0.338
Number of reflections	25660	2441
<I/σ(I)>	5.8	2
Completeness [%]	97.3	95.2
Redundancy	3.5	3.4
CC(1/2)	0.983	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	12% PEG 8000, 0.1 M MgCl2, 0.1 M Tris pH 8.0