7KA0

Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-17
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	292.859, 109.980, 127.951
Unit cell angles	90.00, 100.16, 90.00

Refinement procedure

Resolution	48.040 - 2.400
R-factor	0.1786
Rwork	0.177
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pco
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.147	0.049	1.207
Rmeas	0.159	0.053	1.330
Rpim	0.061	0.020	0.548
Total number of observations	1002495
Number of reflections	155793	8003	7677
<I/σ(I)>	7.3
Completeness [%]	98.9	99	98.2
Redundancy	6.4	6.8	5.5
CC(1/2)		0.997	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2 M lithium sulfate, 0.1 M HEPES, 25% PEG3350