7QVN

Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with(1H-pyrazol-5-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	2021-03-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	I 2 2 2
Unit cell lengths	50.495, 68.918, 117.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.020 - 2.210
R-factor	0.1902
Rwork	0.189
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zct
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.020	2.289
High resolution limit [Å]	2.210	2.210
Rmerge	0.028	1.207
Rmeas		0.039
Rpim		0.681
Number of reflections	10527	10521
<I/σ(I)>	14.17
Completeness [%]	99.2	99.18
Redundancy	1.9	3.8
CC(1/2)	0.999	0.441

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%