9HSI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731
Spacegroup name	I 2 2 2
Unit cell lengths	50.275, 70.256, 118.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.390 - 1.970
R-factor	0.2019
Rwork	0.200
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.877
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.390	1.800
High resolution limit [Å]	1.770	1.770
Number of reflections	28356	1042
<I/σ(I)>	6.5
Completeness [%]	100.0
Redundancy	6.2
CC(1/2)	0.681	0.290

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%