9HSG

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

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	50.267, 70.805, 118.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 2.360
R-factor	0.2261
Rwork	0.225
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.959
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.200
High resolution limit [Å]	2.080	2.080
Rmeas	0.150
Number of reflections	22729	3664
<I/σ(I)>	6.22
Completeness [%]	95.6
Redundancy	3.8
CC(1/2)	0.996	0.160

Crystallization Conditions

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