8QYR

Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	68.580, 95.680, 127.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.000 - 1.800
R-factor	0.189
Rwork	0.187
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.451	1.986
High resolution limit [Å]	1.805	1.805
Rmerge	0.185	2.562
Number of reflections	41812	2083
<I/σ(I)>	11.8	1.3
Completeness [%]	92.2	64.6
Redundancy	25.9	19.6
CC(1/2)	0.999	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	298	2mM Mg.ADP.Vanadate 0.5mM Mavacamten 23% PEG 3350 0.2M Lithium sulfate 0.1M Tris-HCl