7Q9V

Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-(1,3-oxazol-4-yl)methanamine

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	2021-03-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	I 2 2 2
Unit cell lengths	50.699, 68.738, 116.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.800 - 1.500
R-factor	0.1819
Rwork	0.181
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zct
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.800	40.800	1.390
High resolution limit [Å]	1.310	3.910	1.310
Rmerge	0.052	0.018	1.408
Rmeas	0.068	0.023	2.752
Total number of observations	196430
Number of reflections	32949	3384	14785
<I/σ(I)>	8.3	43.86	0.37
Completeness [%]	96.1	94.7	96
Redundancy	2.15	2.359	2.088
CC(1/2)	0.999	0.999	0.141

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291.15	PEG 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% Guanidine HCl 5-6-7% Glycerol