6I4F

Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/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	2017-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.916
Spacegroup name	P 21 2 21
Unit cell lengths	68.760, 71.450, 110.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.180 - 1.500
R-factor	0.156
Rwork	0.155
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.009
RMSD bond angle	1.029
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]	45.180	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.095	2.123
Rmeas	0.103	2.301
Rpim	0.040	0.883
Number of reflections	167763	16758
<I/σ(I)>	10.71
Completeness [%]	100.0	99.99
Redundancy	6.7	6.7
CC(1/2)	1.000	0.365

Crystallization Conditions

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