4HWO

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	85.900, 110.300, 114.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.780 - 1.907
R-factor	0.1848
Rwork	0.184
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.527
Data scaling software	SCALA (3.3.16)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.390	43.703	2.000
High resolution limit [Å]	1.907	6.000	1.907
Rmerge		0.043	0.226
Total number of observations		21912	67090
Number of reflections	82308
<I/σ(I)>	24.7	10.1	3.4
Completeness [%]	95.3	99.7	82.7
Redundancy	7.5	7.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	298	PEG 4000, MPD, sodium citrate, pH 5.9, vapor diffusion, hanging drop, temperature 298K