9L2N

Crystal structure of Cytochalasin D bound to a filamentous conformation actin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	95
Detector technology	CCD
Collection date	2017-06-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	57.213, 90.806, 114.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.210 - 1.700
R-factor	0.1762
Rwork	0.175
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w50
RMSD bond length	0.011
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.450	48.445	1.800
High resolution limit [Å]	1.700	5.080	1.700
Rmerge	0.126	0.042	0.902
Rmeas	0.141	0.048	1.015
Number of reflections	65908	2638	10466
<I/σ(I)>	8.75	4.58	4.72
Completeness [%]	99.5	97.5	98.9
Redundancy	4.73		4.72
CC(1/2)	0.996	0.998	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	17% (w/v) PEG3350 and 20 mM Na2HPO4