9HSF

Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-carbamimidoylacetamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.965459
Spacegroup name	I 2 2 2
Unit cell lengths	50.004, 68.023, 116.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.010 - 2.100
R-factor	0.2374
Rwork	0.235
R-free	0.28710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.843
Data scaling software	DIALS
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.010	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	19598	729
<I/σ(I)>	8.4
Completeness [%]	95.0
Redundancy	3.7
CC(1/2)	0.992	0.869

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