9HSC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.965459
Spacegroup name	I 2 2 2
Unit cell lengths	50.494, 68.943, 118.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.260 - 2.180
R-factor	0.206
Rwork	0.204
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.449	2.050
High resolution limit [Å]	1.860	1.860
Rmerge	0.057	1.387
Rmeas	0.060	1.491
Rpim	0.017	0.536
Total number of observations		4606
Number of reflections	20604	629
<I/σ(I)>	20.8	1.3
Completeness [%]	70.7
Redundancy	11.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	PEG 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% guanidine HCL 5-6-7% Glycerol