6I4G

Crystal Structure of Plasmodium falciparum actin I (H74Q) in the Mg-K-ATP 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	2017-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.916
Spacegroup name	P 21 21 21
Unit cell lengths	68.610, 110.620, 138.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 2.000
R-factor	0.2173
Rwork	0.216
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.005
RMSD bond angle	0.619
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]	48.800	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.166	1.851
Rmeas	0.181	2.075
Rpim	0.073	0.916
Number of reflections	132341	12840
<I/σ(I)>	5.57	0.69
Completeness [%]	95.6	92.84
Redundancy	5.3	4.3
CC(1/2)	0.998	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	298	11% PEG3350, 0.1M BIS-TRIS pH 5.8, 0.2M K-SCN; streak seeded; 20% PEG400 used for cryoprotection