4HWT

Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	73.897, 73.897, 357.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.190 - 2.300
R-factor	0.2099
Rwork	0.207
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.547
Data reduction software	d*TREK (9.9.9.1LDz)
Data scaling software	d*TREK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.190	42.190	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.094	0.049	0.303
Total number of observations		30078	26623
Number of reflections	44551
<I/σ(I)>	10.5	23.5	5.3
Completeness [%]	97.9	98.7	83.2
Redundancy	7.93	5.91	6.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	298	PEG 3350, sodium citrate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K