8GT1

Crystal structure of human cardiac alpha actin A108G 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	57.135, 90.925, 114.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.230 - 1.350
R-factor	0.1848
Rwork	0.184
R-free	0.20240
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]	30.230	30.230	1.430
High resolution limit [Å]	1.350	4.040	1.350
Rmerge	0.085	0.042	0.879
Rmeas	0.092	0.046	0.959
Total number of observations	857912
Number of reflections	130313	5172	20570
<I/σ(I)>	11.68	36.84	1.75
Completeness [%]	99.3	98.6	97.8
Redundancy	6.583	6.887	6.137
CC(1/2)	0.998	0.998	0.599

Crystallization Conditions

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