4MVF

Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine

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	2012-10-28
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 21 21 21
Unit cell lengths	59.150, 92.250, 97.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.680 - 2.000
R-factor	0.195
Rwork	0.193
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THEORETICAL MODEL OF CDPK2 GENERATED BY THE SWISS- MODEL SERVER
RMSD bond length	0.007
RMSD bond angle	1.022
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.700	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.062	0.387
Number of reflections	36894
<I/σ(I)>	36	9.7
Completeness [%]	99.9	99.8
Redundancy	24.7	23.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	291	0.1M MES, 12% PEG 20000, 2mM calcium chloride, 0.3mM staurosporine, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 291K