4K42

Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 1 21 1
Unit cell lengths	54.650, 67.343, 207.853
Unit cell angles	90.00, 92.42, 90.00

Refinement procedure

Resolution	49.192 - 2.900
R-factor	0.2299
Rwork	0.228
R-free	0.27130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.865
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	28543
Completeness [%]	84.2	83.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M BIS-TRIS pH 5.5, 25% Polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K