7DAW

Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97886
Spacegroup name	C 2 2 21
Unit cell lengths	267.000, 298.910, 65.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.820 - 2.830
R-factor	0.2019
Rwork	0.200
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pco
RMSD bond length	0.009
RMSD bond angle	1.103
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.830	2.830
Rmerge	0.174	0.455
Number of reflections	59426	2275
<I/σ(I)>	10.86	1.67
Completeness [%]	93.5	71.5
Redundancy	2.7
CC(1/2)	0.964	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	1.1M (NH4)2SO4, 0.2% PEG 3350, 0.1M HEPES pH 7.5