9QC3

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01993593

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91188
Spacegroup name	P 41 21 2
Unit cell lengths	83.669, 83.669, 147.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.853 - 2.280
Rwork	0.214
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.379
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.260	2.320
High resolution limit [Å]	2.280	2.280
Rmerge	0.142	1.702
Rpim	0.043	0.495
Number of reflections	24663	1193
<I/σ(I)>	11.1	0.9
Completeness [%]	100.0	100
Redundancy	12.7	12.8
CC(1/2)	0.991	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	reservoir: 0.25 M NaOAc, 14% W/V PEG 3350 Protein buffer: 25 mM HEPES, 0.5 M NaCl, 5% glycerol, 2 mM DTT, pH 7