9DRT

Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD00805735

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	2019-11-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97937
Spacegroup name	P 1 21 1
Unit cell lengths	147.773, 65.250, 191.846
Unit cell angles	90.00, 109.74, 90.00

Refinement procedure

Resolution	48.420 - 2.510
R-factor	0.2088
Rwork	0.207
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.426
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.550
High resolution limit [Å]	2.510	6.810	2.510
Rmerge	0.092	0.048	1.040
Rmeas	0.100	0.052	1.127
Rpim	0.038	0.020	0.429
Total number of observations	775199
Number of reflections	117034	6091	5751
<I/σ(I)>	8.3
Completeness [%]	98.4	97.8	98.3
Redundancy	6.6	6.5	6.6
CC(1/2)	0.996	0.997	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	ammonium acetate HEPES pH 7.5 PEG 3350