8POT

Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 1 21 1
Unit cell lengths	89.167, 76.794, 90.863
Unit cell angles	90.00, 102.55, 90.00

Refinement procedure

Resolution	58.060 - 2.149
R-factor	0.2166
Rwork	0.214
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	autoPROC (1.0.5)
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.056	2.374
High resolution limit [Å]	2.149	2.149
Rpim	0.062	0.503
Number of reflections	44722	2236
<I/σ(I)>	7.1	1.6
Completeness [%]	91.2	58.4
Redundancy	4.5	4.5
CC(1/2)	0.962	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M sodium acetate pH5.6, 0.2 M NaCl, 20% PEG6000