7WM7

Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	85.473, 102.049, 103.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.2308
Rwork	0.228
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l2q
RMSD bond length	0.002
RMSD bond angle	1.146
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.046	0.485
Rmeas	0.055	0.570
Rpim	0.029	0.297
Number of reflections	35866	3720
<I/σ(I)>	23.9
Completeness [%]	99.8	100
Redundancy	6.6	6.9
CC(1/2)	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.28 M lithium acetate pH 7.0, 20% PEG 3350