9QDJ

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR DDD018870911

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	2018-10-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 41 21 2
Unit cell lengths	83.701, 83.701, 147.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.225 - 2.597
Rwork	0.260
R-free	0.31810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.225	2.710
High resolution limit [Å]	2.590	2.600
Rmerge	0.360	2.404
Rpim	0.161	0.808
Number of reflections	16852	1977
<I/σ(I)>	4.8	0.8
Completeness [%]	99.7	98.1
Redundancy	11.2	9.6
CC(1/2)	0.988	0.589

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