4J76

Crystal Structure of a parasite tRNA synthetase, ligand-free

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-25
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	117.301, 190.669, 51.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.340
R-factor	0.1808
Rwork	0.179
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hv0
RMSD bond length	0.007
RMSD bond angle	1.077
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.340	6.350	2.340
Rmerge	0.088	0.029	0.363
Number of reflections	49735
<I/σ(I)>	11.5
Completeness [%]	100.0	100	100
Redundancy	7.3	6.7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M sodium citrate, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K