1N9W

Crystal structure of the non-discriminating and archaeal-type aspartyl-tRNA synthetase from Thermus thermophilus

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	2001-10-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	57.361, 122.554, 167.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.227
Rwork	0.227
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.045 *	0.221 *
Number of reflections	52274
<I/σ(I)>	11.5	3.1
Completeness [%]	99.8 *	99.9
Redundancy	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	9.5	293	PEG 8000 and NaCl, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	10 (%(v/v))
2	1	drop	CHES	100 (mM)	pH9.5
3	1	drop		200 (mM)