8OU8

Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-26
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	85.330, 108.950, 113.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.750 - 2.050
R-factor	0.216
Rwork	0.189
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.563
Data reduction software	xia2.multiplex (v1.0)
Data scaling software	Aimless (v1.0)
Phasing software	PHASER (v1.0)
Refinement software	REFMAC (V1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.750	2.258
High resolution limit [Å]	2.050	2.050
Number of reflections	45827	485405
<I/σ(I)>	9.3
Completeness [%]	99.0	48
Redundancy	2.2
CC(1/2)	0.994	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	12% (w/v) PEG 4000, 21% (v/v) MPD, and 0.1 M sodium citrate