6I4L

Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Mg-K-ATP/ADP state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 21 2 21
Unit cell lengths	69.450, 71.330, 110.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.360 - 1.830
R-factor	0.2018
Rwork	0.200
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.005
RMSD bond angle	0.737
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]	45.360	1.895
High resolution limit [Å]	1.830	1.830
Rmerge	0.129	1.054
Rmeas	0.172	1.404
Rpim	0.113	0.919
Number of reflections	89639	8983
<I/σ(I)>	4.96	0.65
Completeness [%]	95.9	96.18
Redundancy	2	2
CC(1/2)	0.990	0.327

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