4OFF

Crystal structure of apo carboxy cGMP binding domain of Plasmodium falciparum PKG

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	2011-12-14
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	25.781, 57.683, 82.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.236 - 1.888
R-factor	0.1798
Rwork	0.177
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.015
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.630
High resolution limit [Å]	1.888
Rmerge	0.088
Number of reflections	10442
<I/σ(I)>	18.2
Completeness [%]	99.6
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	295.1	0.2 M lithium sulfate, 25 % (w/v) PEG 3350 and 0.1 M Bis-Tris pH 5.5. , VAPOR DIFFUSION, temperature 295.1K