7V8J

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with the reaction intermediates proline-adenylate (Pro-AMP) and pyrophosphate

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	2019-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	77.080, 81.720, 105.260
Unit cell angles	90.00, 102.55, 90.00

Refinement procedure

Resolution	47.504 - 2.519
R-factor	0.1717
Rwork	0.169
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xif
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]	47.510	2.580
High resolution limit [Å]	2.519	2.519
Number of reflections	43233	3038
<I/σ(I)>	8.5	1.2
Completeness [%]	99.5	94.4
Redundancy	6.7	6.5
CC(1/2)	0.992	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.12 M Ethylene glycols (0.3M Diethylene glycol, 0.3M Triethylene glycol, 0.3M Tetraethylene glycol, 0.3M Pentaethylene glycol), 0.1 M Buffer (Imidazole, MES monohydrate), 30% v/v Precipitant mix (40% v/v Ethylene glycol, 20 % w/v PEG 8000)