7QVO

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

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	51.039, 68.512, 116.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.760 - 1.620
R-factor	0.186
Rwork	0.185
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zct
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.760	46.760	1.600
High resolution limit [Å]	1.510	4.500	1.510
Rmerge	0.040	0.018	1.230
Rmeas	0.050	0.022	2.638
Total number of observations	158098
Number of reflections	60513	2307	9578
<I/σ(I)>	11.62	52.07	0.47
Completeness [%]	96.8	98.3	94.6
Redundancy	2.613	2.713	2.572
CC(1/2)	0.999	0.999	0.290

Crystallization Conditions

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