6L2P

Threonyl-tRNA synthetase from Salmonella enterica in the apo form

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	2018-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	83.988, 101.859, 106.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.2227
Rwork	0.221
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hwp
RMSD bond length	0.007
RMSD bond angle	1.070
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.110	0.490
Rmeas	0.121
Rpim	0.049
Number of reflections	40001	1976
<I/σ(I)>	22.035
Completeness [%]	97.8	99
Redundancy	6.2	5.3
CC(1/2)		0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.22 M lithium acetate pH 7.0, 20% PEG 3350