3ZJT

Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-06
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	76.900, 118.800, 140.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.540 - 2.200
R-factor	0.20906
Rwork	0.207
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h3n
RMSD bond length	0.014
RMSD bond angle	1.361
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0085)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.500	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.460
Number of reflections	65794
<I/σ(I)>	13.7	2.9
Completeness [%]	99.7	99.8
Redundancy	3.99	3.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		THE TERNARY COMPLEX ECLEURS-TRNA-AN3017 WAS CRYSTALLIZED FROM 0.1 M SODIUM ACETATE AT PH 5.6, 14-18 % PEG 6000 AND 200 MM NACL. CRYSTALS WERE FROZEN IN LIQUID NITROGEN USING A CRYOPROTECTING SOLUTION CONTAINING 22 % ETHYLENE GLYCOL