9DTF

Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD01008876

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 X 6M
Wavelength(s)	0.97937
Spacegroup name	P 1 21 1
Unit cell lengths	146.686, 64.065, 187.920
Unit cell angles	90.00, 110.86, 90.00

Refinement procedure

Resolution	48.640 - 2.450
R-factor	0.2058
Rwork	0.203
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.403
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.149	0.096	1.354
Rmeas	0.156	0.101	1.434
Rpim	0.047	0.030	0.458
Total number of observations	1259678
Number of reflections	124143	6474	6140
<I/σ(I)>	7.2
Completeness [%]	99.5	99	99.5
Redundancy	10.1	11.3	9.2
CC(1/2)	0.997	0.977	0.579

Crystallization Conditions

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