9QC4

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01869767

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-25
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 41 21 2
Unit cell lengths	83.983, 83.983, 147.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.275 - 2.601
Rwork	0.232
R-free	0.29210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.102
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]	46.275	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.158	0.522
Rpim	0.062	0.222
Number of reflections	16862	1964
<I/σ(I)>	8.5	2.3
Completeness [%]	99.7	97.5
Redundancy	13.8	11.5
CC(1/2)	0.988	0.972

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