7YNE

Crystal structure of fragmin domain-1 (1-160) in complex with G-form 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	2017-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	56.898, 97.999, 420.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.210 - 2.700
R-factor	0.2751
Rwork	0.273
R-free	0.30780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w52
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]	49.210	49.210	2.870
High resolution limit [Å]	2.700	8.010	2.700
Rmerge	0.173	0.050	1.385
Rmeas	0.186	0.055	1.489
Total number of observations	479002
Number of reflections	65917	2777	10436
<I/σ(I)>	9.89	32.85	1.32
Completeness [%]	99.9	99.1	99.9
Redundancy	7.267	6.619	7.329
CC(1/2)	0.996	0.996	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate, pH 5.0, 0.1 M calcium acetate, and 12% PEG4000