8GSU

Crystal structure of human cardiac alpha actin (WT_ADP-Pi) 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	2018-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	57.249, 91.272, 115.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.750 - 1.500
R-factor	0.1632
Rwork	0.162
R-free	0.19050
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]	48.750	48.750	1.590
High resolution limit [Å]	1.500	4.490	1.500
Rmerge	0.091	0.035	0.808
Rmeas	0.100	0.039	0.895
Total number of observations	537537
Number of reflections	95981	3896	15123
<I/σ(I)>	12.96	41.81	1.98
Completeness [%]	99.0	99.7	97.4
Redundancy	5.6	5.825	5.171
CC(1/2)	0.998	0.998	0.699

Crystallization Conditions

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