8GT4

Crystal structure of human cardiac alpha actin Q137A 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	2018-08-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	57.028, 92.817, 116.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 1.550
R-factor	0.184
Rwork	0.183
R-free	0.20950
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]	49.390	49.390	1.650
High resolution limit [Å]	1.550	4.640	1.550
Rmerge	0.090	0.046	1.077
Rmeas	0.097	0.050	1.172
Total number of observations	599841
Number of reflections	89716	3625	14225
<I/σ(I)>	12.54	37.57	1.63
Completeness [%]	99.6	99.6	98.8
Redundancy	6.686	6.756	6.217
CC(1/2)	0.998	0.997	0.619

Crystallization Conditions

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