6NML

Ternary structure of the T130K 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 PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	59.210, 98.030, 102.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.420 - 2.000
R-factor	0.1991
Rwork	0.198
R-free	0.22930
RMSD bond length	0.006
RMSD bond angle	0.872
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.420	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.553
Rmeas	0.091	0.670
Rpim	0.053
Number of reflections	40016	2857
<I/σ(I)>	11.4	2.7
Completeness [%]	97.8	95.7
Redundancy	4.9	4.6
CC(1/2)	0.996	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	12% PEG 8K, 0.1 M Tris pH 8.0, 0.1-0.2 M MgCl2, 2mM Neomycin, 4mM AMPCPP