7QI8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 41 21 2
Unit cell lengths	84.196, 84.196, 147.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.430 - 2.200
R-factor	0.2467
Rwork	0.244
R-free	0.30470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qh8
RMSD bond length	0.005
RMSD bond angle	1.481
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.330	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.205	1.722
Rpim	0.092	0.811
Number of reflections	27807	2354
<I/σ(I)>	5.8	1.1
Completeness [%]	100.0	100
Redundancy	11.1	10.5
CC(1/2)	0.995	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Reservoir: 0.25 M NaOAc, 14% PEG 3350 Protein: 100 mM HEPES, 150 mM NaCl, 5% glycerol, pH 7.5, ~ 20 mg/ml