9HSO

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

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	2023-03-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8856
Spacegroup name	I 2 2 2
Unit cell lengths	50.039, 69.599, 117.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.840 - 2.300
R-factor	0.2201
Rwork	0.218
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.766
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.840	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.058	1.203
Rmeas	0.068	1.421
Rpim	0.035	0.728
Total number of observations		2882
Number of reflections	15763	875
<I/σ(I)>	13.7	1
Completeness [%]	96.7
Redundancy	3.4	3.3
CC(1/2)	0.990	0.397

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%