8GT2

Crystal structure of human cardiac alpha actin P109A mutant (AMPPNP 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	56.832, 92.787, 116.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.120 - 1.500
R-factor	0.1812
Rwork	0.180
R-free	0.20250
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]	43.120	43.120	1.590
High resolution limit [Å]	1.500	4.490	1.500
Rmerge	0.109	0.061	1.186
Rmeas	0.118	0.066	1.297
Total number of observations	661175
Number of reflections	98941	3990	15724
<I/σ(I)>	9.91	29.27	1.52
Completeness [%]	99.9	99.8	99.4
Redundancy	6.683	6.946	6.118
CC(1/2)	0.997	0.995	0.538

Crystallization Conditions

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