6I4K

Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Ca-ATP state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.953720
Spacegroup name	P 21 2 21
Unit cell lengths	69.830, 71.380, 110.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.800 - 1.830
R-factor	0.1609
Rwork	0.159
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.007
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	1.895
High resolution limit [Å]	1.830	1.830
Rmerge	0.136	0.136
Rmeas	0.158	1.237
Rpim	0.081	0.732
Number of reflections	94327	9298
<I/σ(I)>	8.34	0.91
Completeness [%]	99.8	98.52
Redundancy	3.7	2.6
CC(1/2)	0.993	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	298	23% PEG3350, 0.1M BIS-TRIS pH 5.9, 0.2M K-SCN; 20% PEG400 used for cryoprotection