1UE0

Isoleucyl-tRNA synthetase editing domain complexed with L-Valine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-01
Detector	Bruker DIP-6040
Wavelength(s)	0.900
Spacegroup name	P 41 21 2
Unit cell lengths	102.270, 102.270, 84.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.940 - 2.000
R-factor	0.204
Rwork	0.203
R-free	0.24800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IleRS CP1 domain
RMSD bond length	0.011 *
RMSD bond angle	1.650 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.047	0.285 *
Number of reflections	30184
<I/σ(I)>	7.1	2.6
Completeness [%]	98.8	99.2
Redundancy	8.9	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	20 *	ammonium sulfate,2-propanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	HEPES-NaOH	50 (mM)	pH7.0
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	2-propanol	5 (%)
5	1	reservoir	valine	100 (mM)