1KOG

Crystal structure of E. coli threonyl-tRNA synthetase interacting with the essential domain of its mRNA operator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 1 2 1
Unit cell lengths	188.450, 101.740, 199.340
Unit cell angles	90.00, 114.40, 90.00

Refinement procedure

Resolution	29.800 - 3.500
R-factor	0.251
Rwork	0.251
R-free	0.28800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THREONYL-TRNA SYNTHETASE CORE (PDB CODE: 1EVL)
RMSD bond length	0.012
RMSD bond angle	21.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800 *	3.580
High resolution limit [Å]	3.460	3.460
Rmerge	0.063	0.346
Total number of observations	330893 *
Number of reflections	88408	8790 *
<I/σ(I)>	15.7	4.7
Completeness [%]	97.9	82.8
Redundancy	3.74	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.6	4 *	ammonium sulfate, magnesium chloride, cacodylate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	ammonium sulfate
2	1	1	MgCl2
3	1	1	cacodylate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
2	1		sodium cacodylate		pH6.6
3	1	2	deltaNThrRS	0.088 (mM)
4	1	2	d2RNA	0.200 (mM)
5	1	2		10 (mM)
6	1	2	ThrAMS	10 (mM)