7VC3

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and L-proline at 1.97 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	114.733, 73.644, 74.906
Unit cell angles	90.00, 111.38, 90.00

Refinement procedure

Resolution	52.682 - 1.973
R-factor	0.177
Rwork	0.175
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f9t
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.640	2.010
High resolution limit [Å]	1.970	1.970
Number of reflections	40410	2008
<I/σ(I)>	10.7	0.6
Completeness [%]	98.6	97.9
Redundancy	6.9
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	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 (Sodium HEPES, MOPS), 30 % v/v Precipitant (40% v/v Glycerol, 20% w/v PEG 4000)