9HSH

Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Cytidine-triphosphate

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	2022-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9655
Spacegroup name	I 2 2 2
Unit cell lengths	50.494, 69.321, 117.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.640 - 1.800
R-factor	0.2318
Rwork	0.231
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.873
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.640	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	29350	940
<I/σ(I)>	10.4
Completeness [%]	97.5
Redundancy	3.6
CC(1/2)	0.967	0.285

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%