3I7F

Aspartyl tRNA synthetase from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97945
Spacegroup name	H 3
Unit cell lengths	247.848, 247.848, 56.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.202
Rwork	0.200
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.378
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.100	0.036	0.735
Number of reflections	31605
<I/σ(I)>	9.6
Completeness [%]	99.7	99.3	97.6
Redundancy	6.2	6.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	0.2 M Lithium sulfate, 0.1 M Bis-Tris pH 5.5, 23% PEG 3350, VAPOR DIFFUSION, temperature 293K