5DYK

Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form

Replaces:  4MYJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	94.509, 127.284, 215.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.450
R-factor	0.2061
Rwork	0.204
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4MYI
RMSD bond length	0.007
RMSD bond angle	1.151
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.490
High resolution limit [Å]	2.450	6.640	2.450
Rmerge	0.093	0.031	0.935
Total number of observations	223523
Number of reflections	47350
<I/σ(I)>	8.3
Completeness [%]	96.6	99.4	93.1
Redundancy	4.7	5.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	0.4M L-Proline, 10% Peg 3350, 0.1M Hepes 7.8 15% EG