7Q4A

Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9655
Spacegroup name	P 43
Unit cell lengths	96.771, 96.771, 112.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.620 - 2.310
R-factor	0.2029
Rwork	0.202
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cnh
RMSD bond length	0.004
RMSD bond angle	0.718
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	2.390
High resolution limit [Å]	2.310	2.310
Number of reflections	45271	1688
<I/σ(I)>	10.37	0.82
Completeness [%]	93.1	37.3
Redundancy	4.5	4.2
CC(1/2)	0.996	0.357

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	18% PEG 3350, 0.18 M Potassium thiocyanate