7W50

Crystal structure of fragmin domain-1 in complex with actin (ADP-Pi-form)

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	57.210, 91.060, 115.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.620 - 1.150
R-factor	0.1428
Rwork	0.142
R-free	0.16170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w4z
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]	48.620	48.620	1.180
High resolution limit [Å]	1.150	5.140	1.150
Rmerge	0.066	0.039	0.893
Rmeas	0.071	0.041	1.010
Number of reflections	208131	2617	14528
<I/σ(I)>	13.15	51.51	1.63
Completeness [%]	97.8	99.8	93.2
Redundancy	7.284	10.695	4.547
CC(1/2)	0.999	0.999	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Na2HPO4, 18% PEG3350