4CBU

Crystal structure of Plasmodium falciparum actin I

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	CCD
Collection date	2012-06-26
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	68.980, 110.300, 71.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.150 - 1.300
R-factor	0.1215
Rwork	0.120
R-free	0.15340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.481
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.100	1.310
Number of reflections	134201
<I/σ(I)>	13.9	1.65
Completeness [%]	99.9	99.1
Redundancy	7.3	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		22%(W/V) PEG 3350, 0.2 M POTASSIUM THIOCYANATE, 0.1 M BIS-TRIS PROPANE PH 6.5