6AQH

Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium thermoresistibile complexed with L-lysine and Cladosporin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	53.460, 88.160, 123.430
Unit cell angles	93.34, 96.45, 98.93

Refinement procedure

Resolution	42.457 - 2.350
R-factor	0.225
Rwork	0.224
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vl1
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.457	42.457	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.054	0.029	0.576
Rmeas	0.072	0.037	0.751
Total number of observations	199158
Number of reflections	87176	970	6521
<I/σ(I)>	10.13	22.91	1.97
Completeness [%]	94.8	94.6	95.5
Redundancy	2.285	2.225	2.378
CC(1/2)	0.997	0.997	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	290	MythA.00612.a.B1.PW38257 at 33.5 mg/ml was incubated with 2 mM L-Lysine and 1 mM cladosporin, then mixed 1:1 with MCSG1 (d12): 0.2 M ammonium chloride, pH = 6.3, 20% (w/v) PEG-3350, cryoprotected with 20% ethylene glycol. Tray: 293203d12, puck: ryc9-9.