9HSL

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

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	50.231, 70.112, 119.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.420 - 2.150
R-factor	0.2232
Rwork	0.220
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.789
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.420	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.164	1.653
Rmeas	0.179	1.799
Rpim	0.072	0.700
Total number of observations		6086
Number of reflections	22042	938
<I/σ(I)>	7.9	1.3
Completeness [%]	99.6
Redundancy	6.2	6.5
CC(1/2)	0.992	0.546

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%