6YXT

Crystal structure of the ADP-bound 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	66.450, 68.000, 105.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.170 - 2.200
R-factor	0.2318
Rwork	0.231
R-free	0.25520
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]	68.000	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	24873	3571
<I/σ(I)>	6.5	1
Completeness [%]	99.9
Redundancy	5.1
CC(1/2)	0.994	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	16% (v/v) PEG 4000, 0.2 M NaCl, 0.1 M HEPES pH 7.5, 2 mM TCEP, 4 mM MgCl2 and 2 mM ADP