6NMK

Binary complex structure of the T130K mutant of ANT-4'' with Neomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	59.000, 97.710, 101.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.068 - 1.940
R-factor	0.1722
Rwork	0.170
R-free	0.21050
RMSD bond length	0.012
RMSD bond angle	1.205
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.070	1.940
High resolution limit [Å]	1.940	1.900
Rmerge	0.056	0.374
Rmeas	0.061	0.408
Rpim	0.023	0.159
Number of reflections	45570	2739
<I/σ(I)>	18.5	4.4
Completeness [%]	97.0	93.7
Redundancy	6.5	6
CC(1/2)	0.998	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	16-17% PEG 8K, 0.1 M Tris pH 7-8, 0.1-0.2 M MgCl2, 2-4 mM Neomycin