4K41

Crystal structure of actin in complex with marine macrolide kabiramide C

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)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	58.355, 55.553, 104.100
Unit cell angles	90.00, 92.77, 90.00

Refinement procedure

Resolution	40.000 - 1.400
R-factor	0.1694
Rwork	0.168
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.241
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]	40.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	59011
Completeness [%]	90.0	59.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M MES pH 5.5, 0.1 M CaCl2, 12% 1,6-Hexanediol and 17% Polyethylene glycol 1500, VAPOR DIFFUSION, SITTING DROP, temperature 298K