1WNZ

Isoleucyl-tRNA synthetase editing domain complexed with the post-transfer editing substrate analogue, Val-2AA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	1
Spacegroup name	P 41 2 2
Unit cell lengths	72.594, 72.594, 83.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.300 - 1.700
R-factor	0.21
Rwork	0.210
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	27090
Completeness [%]	98.3	93.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2.0M ammonium sulfate, 5% (w/v) 2-propanol, and 50mM ADA buffer (pH 6.5), 1mM 2S-(L-valyl)amino-2S-deoxyadenosine, VAPOR DIFFUSION, HANGING DROP, temperature 293K