8GT3

Crystal structure of human cardiac alpha actin P109A mutant (ADP-Pi state) in complex with fragmin F1 domain

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	2018-09-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	57.171, 91.108, 115.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.550 - 1.500
R-factor	0.1662
Rwork	0.165
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w50
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XSCALE (Feb 5, 2021)
Phasing software	MOLREP (11.6.03)
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.550	45.550	1.590
High resolution limit [Å]	1.500	4.490	1.500
Rmerge	0.083	0.027	0.977
Rmeas	0.089	0.029	1.062
Total number of observations	652435
Number of reflections	96061	3880	15230
<I/σ(I)>	15.8	57.85	1.87
Completeness [%]	99.6	99.8	98.8
Redundancy	6.792	6.968	6.264
CC(1/2)	0.999	0.999	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG3350, Disodium Hydrogenphosphate, HEPES