5DZC

Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound

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	2015-04-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97929
Spacegroup name	C 1 2 1
Unit cell lengths	193.111, 117.906, 67.731
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.2228
Rwork	0.221
R-free	0.25500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4MYI
RMSD bond length	0.010
RMSD bond angle	1.361
Data reduction software	HKL-3000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.090	0.042	0.845
Rmeas	0.104	0.048	0.973
Rpim	0.050	0.024	0.475
Total number of observations	270566
Number of reflections	65835
<I/σ(I)>	7
Completeness [%]	99.1	97.9	95.5
Redundancy	4.1	4.1	3.7
CC(1/2)		0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	18.2% PEG3350, 0.1 M HEPES pH 7.0, 0.1M Succinate, 2mM MgCl2,5mM AMPPNP