6I4D

Crystal Structure of Plasmodium falciparum actin I in the Mg-K-ATP/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	2013-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.031
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	59.930 - 1.240
R-factor	0.1306
Rwork	0.130
R-free	0.15510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbu
RMSD bond length	0.011
RMSD bond angle	1.206
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]	59.930	1.280
High resolution limit [Å]	1.240	1.240
Rmerge	0.062	1.071
Rmeas		1.193
Rpim		0.511
Number of reflections	152407	13428
<I/σ(I)>	17.5	1.3
Completeness [%]	98.8	88.2
Redundancy	7	4.9
CC(1/2)	1.000	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	23%(w/v) PEG3350, 0.1 M BIS-TRIS pH 6.0, 0.2M K-SCN; 20% PEG400 used for cryoprotection