9HSV

Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (1H-pyrazol-3-yl)methanol

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	2023-06-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	I 2 2 2
Unit cell lengths	50.150, 71.112, 118.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.030 - 1.680
R-factor	0.1989
Rwork	0.198
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.715
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.030	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	43699	1447
<I/σ(I)>	8.6
Completeness [%]	97.8
Redundancy	3.7
CC(1/2)	0.987	0.141

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%