6YXS

Crystal structure of the apo form of choline kinase from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-17
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	66.410, 68.820, 104.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.530 - 2.000
R-factor	0.2081
Rwork	0.206
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fi8
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.530	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	33217	4770
<I/σ(I)>	8
Completeness [%]	100.0
Redundancy	7.9
CC(1/2)	0.995	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	16% (v/v) PEG 8000, 0.2 M NaCl, 0.1 M HEPES pH 7.5, 2 mM TCEP and 4 mM MgCl2