7KAB

M. tuberculosis PheRS complex with cognate precursor tRNA and phenylalanine

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	2018-12-09
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	127.597, 110.452, 148.413
Unit cell angles	90.00, 105.07, 90.00

Refinement procedure

Resolution	29.690 - 2.500
R-factor	0.1866
Rwork	0.186
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ka0
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.540
High resolution limit [Å]	2.500	6.760	2.500
Rmerge	0.141	0.061	1.374
Rmeas	0.153	0.066	1.507
Rpim	0.057	0.025	0.610
Total number of observations	477367
Number of reflections	68179	3492	3404
<I/σ(I)>	5.1
Completeness [%]	99.3	99.1	99.4
Redundancy	7	7.2	5.9
CC(1/2)		0.996	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	14.3% PEG20000, 0.15 M TAPS, 5.0% 1,2-propanediol