3VGJ

Crystal of Plasmodium falciparum tyrosyl-tRNA synthetase (PfTyrRS)in complex with adenylate analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	137.560, 46.500, 141.350
Unit cell angles	90.00, 93.75, 90.00

Refinement procedure

Resolution	40.025 - 2.212
R-factor	0.1739
Rwork	0.172
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.210	4.760	2.210
Rmerge	0.056	0.039	0.405
Number of reflections	43059
<I/σ(I)>	17.6
Completeness [%]	94.7	97.9	82.2
Redundancy	14.1	14	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	10mM MgCl2, 10mM ATP, 2mM L-Tyrosine, 2.4mM sodium malonate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K