9DSX

Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD00107555

This is a non-PDB format compatible entry.

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	2019-11-13
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	147.364, 65.032, 189.487
Unit cell angles	90.00, 110.86, 90.00

Refinement procedure

Resolution	48.860 - 2.050
R-factor	0.2009
Rwork	0.199
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.063	0.025	0.911
Rmeas	0.069	0.027	0.998
Rpim	0.026	0.011	0.401
Total number of observations	1378418
Number of reflections	208786	10810	10395
<I/σ(I)>	9.2
Completeness [%]	99.3	99	99
Redundancy	6.6	6.6	6
CC(1/2)	0.998	0.998	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	ammonium acetate HEPES pH 7.5 PEG 3350