3HRK

Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidyl-adenylate complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97923
Spacegroup name	P 21 21 2
Unit cell lengths	112.360, 166.987, 66.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.560 - 3.050
R-factor	0.236
Rwork	0.232
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3HRJ
RMSD bond length	0.010
RMSD bond angle	1.119
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.160
High resolution limit [Å]	3.050	6.570	3.050
Rmerge	0.120	0.051	0.905
Number of reflections	19599
<I/σ(I)>	7.746
Completeness [%]	80.3	86	68.7
Redundancy	3	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	0.2 M Lithium Sulfate, 28% PEG 3350, 0.1 M Bis/Tris pH 5.5, 1mM TCEP, 10 mM L-Histidine; subsequent soak against effective concentration 5mM ATP, 5mM MgCl2, vapor diffusion, temperature 293K