7K9M

Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine

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)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	128.432, 110.753, 147.897
Unit cell angles	90.00, 103.59, 90.00

Refinement procedure

Resolution	47.920 - 2.500
R-factor	0.181
Rwork	0.179
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ka0
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.171	0.044	0.832
Rmeas	0.186	0.048	0.959
Rpim	0.073	0.018	0.465
Total number of observations	427793
Number of reflections	68621	3545	3274
<I/σ(I)>	5.5
Completeness [%]	99.0	99.2	96.2
Redundancy	6.2	6.8	3.9
CC(1/2)		0.998	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M potassium sodium tartrate, 20% PEG3350