9QEI

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01866774

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	83.929, 83.929, 147.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.417 - 2.400
Rwork	0.250
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.361
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.290	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.113	2.311
Rpim	0.056	1.170
Number of reflections	20488	2176
<I/σ(I)>	8.5	0.6
Completeness [%]	96.4	99
Redundancy	7.6	7.7
CC(1/2)	0.999	0.508

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