6P08

Ternary structure of the E52D mutant of ANT-4'' with Neomycin, AMP and Pyrophosphate

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	59.750, 99.300, 101.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.650 - 2.270
R-factor	0.196
Rwork	0.194
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kny
RMSD bond length	0.006
RMSD bond angle	0.993
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]	49.650	2.300
High resolution limit [Å]	2.270	2.270
Rmerge	0.124	0.440
Rmeas	0.134	0.476
Rpim	0.050	0.243
Number of reflections	30558	2512
<I/σ(I)>	8.8	3.9
Completeness [%]	97.6	94.6
Redundancy	6.8	6.8
CC(1/2)	0.990	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	18% PEG 8K, 0.1 M Tris pH 8.0, 0.1 M MgCl2