9TJW

Ternary complex of E. coli leucyl-tRNA synthetase mutant R178A, tRNA(leu) and the leucyl adenylate analog LeuAMS in the aminoacyl transfer state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-07
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.87313
Spacegroup name	C 1 2 1
Unit cell lengths	158.163, 68.890, 227.711
Unit cell angles	90.00, 104.61, 90.00

Refinement procedure

Resolution	220.350 - 2.235
R-factor	0.195
Rwork	0.193
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.840
Data reduction software	autoPROC (20240123)
Data scaling software	STARANISO
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	220.347	2.470
High resolution limit [Å]	2.235	2.235
Rmerge	0.141	1.124
Rmeas	0.170	1.336
Rpim	0.094	0.716
Number of reflections	81602	4080
<I/σ(I)>	5.5	1.5
Completeness [%]	89.6	41.1
Redundancy	3.2	1.5
CC(1/2)	0.989	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M BisTris pH5.5, 0.2M Ammonium Acetate, 23-26% PEG3350