3O4Y

Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610

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	2010-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97924
Spacegroup name	I 2 2 2
Unit cell lengths	52.106, 84.858, 85.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.200
R-factor	0.2366
Rwork	0.235
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k21
RMSD bond length	0.013
RMSD bond angle	1.347
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.061	0.035	0.608
Number of reflections	16607
<I/σ(I)>	8.3		3.06
Completeness [%]	100.0	99.2	100
Redundancy	7.3	6.7	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20 % PEG 3350, 0.2 M NH4diHPO4, 5 mM MgCl2, 20% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K