6UFH

Co-crystal structure of M. tuberculosis ileS T-box in complex with tRNA-3'-2'3'cyclic phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	273.15
Detector technology	PIXEL
Collection date	2019-04-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	76.276, 61.430, 122.520
Unit cell angles	90.00, 93.97, 90.00

Refinement procedure

Resolution	62.680 - 3.104
R-factor	0.2247
Rwork	0.220
R-free	0.26890
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]	122.230	122.230	3.320
High resolution limit [Å]	3.100	8.780	3.100
Rmerge	0.086	0.026	1.414
Rmeas	0.102	0.031	1.689
Rpim	0.054	0.017	0.911
Total number of observations	70797	3031	11603
Number of reflections	20442	945	3525
<I/σ(I)>	7.2	33.2	1
Completeness [%]	98.5	97.3	95
Redundancy	3.5	3.2	3.3
CC(1/2)	0.999	0.999	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289.15	10% PEG 4000, 50 mM sodium cacodylate pH 6.5, 200 mM KCl, 15 mM MgCl2