4K43

Crystal structure of actin in complex with synthetic AplC tail analogue GC04 [N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide]

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	54.578, 70.349, 107.673
Unit cell angles	90.00, 104.70, 90.00

Refinement procedure

Resolution	42.916 - 2.900
R-factor	0.2249
Rwork	0.222
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.710
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	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	17401
Completeness [%]	98.1	90.3

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