6P04

Binary structure of the E52D mutant of ANT-4'' with Neomycin

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	2017-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	58.700, 98.450, 101.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.225 - 2.300
R-factor	0.1976
Rwork	0.195
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kny
RMSD bond length	0.004
RMSD bond angle	0.804
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]	49.225	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.162	0.644
Rmeas	0.181	0.716
Rpim	0.104	0.308
Number of reflections	26344	2530
<I/σ(I)>	5.5	2.1
Completeness [%]	98.4	98.6
Redundancy	5.2	5
CC(1/2)	0.954	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	16% PEG 8K, 0.1 M Tris pH8.0, 0.1M MgCl2