6I4I

Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-K-ADP-AlFn 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 PILATUS 6M
Wavelength(s)	0.969
Spacegroup name	P 21 2 21
Unit cell lengths	68.610, 71.330, 109.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.050 - 1.900
R-factor	0.1806
Rwork	0.179
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.008
RMSD bond angle	0.893
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]	45.050	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.096	0.710
Rmeas	0.115	0.848
Rpim	0.061	0.457
Number of reflections	81327	8100
<I/σ(I)>	9.06
Completeness [%]	99.5	99.11
Redundancy	3.3	3.3
CC(1/2)	0.995	0.591

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