4QOX

Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 18-ID
Synchrotron site	APS
Beamline	18-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-14
Detector	ADSC QUANTUM 315
Wavelength(s)	.97915
Spacegroup name	P 21 21 21
Unit cell lengths	70.289, 75.967, 92.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.563 - 2.748
R-factor	0.2058
Rwork	0.203
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.596
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	2.800
High resolution limit [Å]	2.750	7.450	2.750
Rmerge	0.143	0.082	0.902
Number of reflections	13454
<I/σ(I)>	5.3		2.86
Completeness [%]	100.0	99.9	100
Redundancy	7.5	6.5	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	5% glycerol 1mM 3MBPP1 5 mM TCEP 28% PEG2000 MME 0.1 M BisTris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K