6I4H

Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Ca-ATP state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 2 21
Unit cell lengths	68.870, 71.540, 110.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.750 - 1.400
R-factor	0.1437
Rwork	0.143
R-free	0.16320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.009
RMSD bond angle	1.152
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]	43.750	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.050	0.980
Rmeas	0.060	1.171
Rpim	0.032	0.633
Number of reflections	206841	20505
<I/σ(I)>	12.2
Completeness [%]	99.5	99.03
Redundancy	3.3	3.3
CC(1/2)	0.998	0.398

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