9F6C

Cardiac myosin motor domain in the pre-powerstroke state co-crystallized with the inhibitor aficamten

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-09-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	69.424, 128.326, 103.530
Unit cell angles	90.00, 91.47, 90.00

Refinement procedure

Resolution	46.600 - 2.330
R-factor	0.207
Rwork	0.205
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.496	2.590
High resolution limit [Å]	2.330	2.330
Rmerge	0.102
Number of reflections	51951	2599
<I/σ(I)>	10.4
Completeness [%]	93.8
Redundancy	7
CC(1/2)	0.998	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	23% PEG3350; 0.2 M lithium sulfate, 0.1 M Tris-HCl pH 7.9