7W52

Crystal structure of fragmin domain-1 (15-160) in complex with 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	2017-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	56.987, 96.260, 426.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.673 - 2.001
R-factor	0.2113
Rwork	0.209
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p8z
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	XSCALE (Mar 15, 2019)
Phasing software	MOLREP (11.5.02)
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.673	46.673	2.120
High resolution limit [Å]	2.000	5.960	2.000
Rmerge	0.074	0.027	0.851
Rmeas	0.081	0.030	0.922
Total number of observations	1031833
Number of reflections	157109	6408	24712
<I/σ(I)>	17.42	55.67	2.06
Completeness [%]	98.2	97.7	96.9
Redundancy	6.568	6.019	6.633
CC(1/2)	0.999	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate, pH 4.5, 0.1 M calcium acetate, and 7% PEG3350