4OFG

Co-crystal structure of carboxy cGMP binding domain of Plasmodium falciparum PKG with cGMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2012-07-29
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 31 2 1
Unit cell lengths	67.299, 67.299, 59.518
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.173 - 2.000
R-factor	0.17
Rwork	0.168
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.136
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.173	26.170	2.350
High resolution limit [Å]	2.000	12.640	2.030
Rmerge	0.087	0.041	0.340
Number of reflections	10655
<I/σ(I)>	18	28.3	7.5
Completeness [%]	99.2	99.2	99.2
Redundancy	10.9	8.2	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	277.15	0.2 M lithium sulfate, 15% ethanol, 0.1 M citrate at pH 5.5 and 10 % 1,5-diaminopentane dihydrochloride, VAPOR DIFFUSION, temperature 277.15K