6I4J

Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-ADP state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.137
Spacegroup name	P 21 2 21
Unit cell lengths	68.560, 71.350, 109.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.070 - 1.500
R-factor	0.1663
Rwork	0.165
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.012
RMSD bond angle	1.216
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]	45.070	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.070	0.938
Rmeas	0.085	1.178
Rpim	0.047	0.702
Number of reflections	162244	15884
<I/σ(I)>	7.77
Completeness [%]	97.4	95.06
Redundancy	2.7	2.4
CC(1/2)	0.996	0.401

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