7VC1

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and L-proline in space group P21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	76.890, 81.800, 104.660
Unit cell angles	90.00, 102.59, 90.00

Refinement procedure

Resolution	47.287 - 1.892
R-factor	0.176
Rwork	0.174
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v8k
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.010
High resolution limit [Å]	1.890	1.890
Number of reflections	100749	15940
<I/σ(I)>	10.09
Completeness [%]	99.6	97.9
Redundancy	7
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Amino acids (0.2M DL-Glutamic acid monohydrate, 0.2M DL-Alanine, 0.2M Glycine, 0.2M DL-Lysine monohydrochloride and 0.2M DL-Serine), 0.1 M Buffer (Imidazole, MES monohydrate), 30 % v/v Precipitant (40% v/v Ethylene glycol, 20% w/v PEG 8000)