7V8K

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with L-Proline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9197
Spacegroup name	P 1 21 1
Unit cell lengths	77.196, 81.673, 104.660
Unit cell angles	90.00, 102.94, 90.00

Refinement procedure

Resolution	68.291 - 2.470
R-factor	0.1693
Rwork	0.167
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xif
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.000	2.510
High resolution limit [Å]	2.470	2.470
Rmeas	0.204	1.429
Number of reflections	45661	2263
<I/σ(I)>	8.2	2.3
Completeness [%]	99.9	100
Redundancy	6.6	6.6
CC(1/2)	1.000	0.400

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, 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)