6I4E

Crystal Structure of Plasmodium falciparum actin I in the Mg-ADP state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.954
Spacegroup name	P 21 2 21
Unit cell lengths	68.520, 71.270, 109.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 1.220
R-factor	0.1367
Rwork	0.136
R-free	0.15670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.011
RMSD bond angle	1.167
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]	49.390	1.264
High resolution limit [Å]	1.220	1.220
Rmerge	0.047	1.129
Rmeas	0.052	1.250
Rpim	0.022	0.529
Number of reflections	159860	15809
<I/σ(I)>	16.29
Completeness [%]	99.8	99.75
Redundancy	5.4	5.4
CC(1/2)	0.999	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	23% PEG3350, 0.1M BIS-TRIS pH 6.2, 0.2M K-SCN; 20% PEG400 used for cryoprotection