7Q3M

Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxypiperidine

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	50.440, 67.423, 116.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.710 - 2.200
R-factor	0.2034
Rwork	0.202
R-free	0.23230
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]	33.710	33.710	1.990
High resolution limit [Å]	1.880	5.590	1.880
Rmerge	0.060	0.026	0.724
Rmeas	0.083	0.032	2.535
Total number of observations	75341
Number of reflections	11693	1136	1108
<I/σ(I)>	8.07	34.14	0.46
Completeness [%]	96.4	95.2	95.7
Redundancy	2.481	2.562	2.431
CC(1/2)	0.998	0.999	0.167

Crystallization Conditions

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