3FI8

Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	.97951
Spacegroup name	P 21 21 21
Unit cell lengths	58.380, 64.556, 91.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.300
R-factor	0.2
Rwork	0.197
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.393
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.152	0.803
Number of reflections	16405
<I/σ(I)>	17.538	2.5
Completeness [%]	99.9	99.7
Redundancy	6.1	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% Peg 8000, 0.2 M NaCl, 0.1 M Hepes pH 7.5, 5% MPD, 2 mM Phosphoethanolamine, 2 mM ADP, 2 mM TCEP, 4 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K