6UFG

Co-crystal structure of M. tuberculosis ileS T-box in complex with tRNA-3'-OH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	273.15
Detector technology	PIXEL
Collection date	2019-02-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.105100
Spacegroup name	P 41
Unit cell lengths	77.209, 77.209, 172.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.209 - 2.929
R-factor	0.2009
Rwork	0.198
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	172.750	3.110	8.790
High resolution limit [Å]	2.929	2.930	2.929
Rmerge	0.082	0.875	0.063
Rmeas	0.089	0.956	0.069
Rpim	0.034	0.381	0.027
Number of reflections	21775	3505	843
<I/σ(I)>	12.7
Completeness [%]	99.9	99.5	99.9
Redundancy	6.8	6.1	6.8
CC(1/2)	0.995	0.875	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289.15	10% PEG 4000, 50 mM HEPES pH 7.0, 150 mM KCl, 40 mM MgCl2