7QH8

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	83.838, 83.838, 147.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.350 - 1.920
R-factor	0.2129
Rwork	0.211
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5elo
RMSD bond length	0.008
RMSD bond angle	1.543
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.890	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.095	3.304
Rmeas	0.099
Rpim	0.026	0.992
Number of reflections	41053	2007
<I/σ(I)>	15.1	1
Completeness [%]	100.0	99.6
Redundancy	13.8	12
CC(1/2)	0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Reservoir: 0.25 M NaOAc, 14% w/v PEG 3350 Protein buffer: 25 mM HEPES, 500 mM NaCl, 5% glycerol, 2 mM DTT, pH 7.0