8AHT

Crystal structure of Plasmodium falciparum Ca2+/Calmodulin in complex with melittin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	37.900, 60.680, 68.450
Unit cell angles	95.77, 89.99, 97.05

Refinement procedure

Resolution	47.430 - 2.200
R-factor	0.2356
Rwork	0.234
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdl
RMSD bond length	0.003
RMSD bond angle	0.543
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.430	2.400	2.300
High resolution limit [Å]	2.200	2.300	2.200
Rmeas	0.090	0.624	1.017
Number of reflections	28647	3089	3250
<I/σ(I)>	8.78	1.8	1.25
Completeness [%]	93.5
Redundancy	1.796
CC(1/2)	0.998	0.768	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.25M NaCl, 30w/v% PEG3350, 0.1M Bis-Tris buffer, pH 6.0