5XIF

Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	76.680, 86.430, 97.160
Unit cell angles	90.00, 106.46, 90.00

Refinement procedure

Resolution	53.410 - 2.480
R-factor	0.1962
Rwork	0.193
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4twa
RMSD bond length	0.012
RMSD bond angle	1.535
Data reduction software	XDS
Data scaling software	Aimless (0.5.2)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.410	2.570
High resolution limit [Å]	2.480	2.480
Rmeas	0.159	1.495
Rpim	0.054	0.517
Number of reflections	42796	4075
<I/σ(I)>	13.6
Completeness [%]	99.0	95.9
Redundancy	8.5	8.2
CC(1/2)	0.997	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	10%(w/v) PEG 8K, 20%(v/v) ethylene glycol, 0.03M of each ethylene glycol and 0.1M bicine/Trizma base