9HTF

Beta-cardiac myosin Y115H mutant motor domain in the pre-powerstroke state, MgADP.VO4 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 43 2 2
Unit cell lengths	93.553, 93.553, 220.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.553 - 2.481
R-factor	0.2094
Rwork	0.207
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS (1.12.15)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP (1.20.1-4487-000)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.553	2.793
High resolution limit [Å]	2.481	2.481
Rmerge	0.172	1.288
Rmeas	0.182	1.370
Rpim	0.060	0.461
Number of reflections	21395	1070
<I/σ(I)>	8.4	1.7
Completeness [%]	60.1	10.3
Redundancy	9.1	8.6
CC(1/2)	0.991	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	23 % PEG 3350 w:v, 0.3 M lithium sulfate, 0.1M Tris-HCl, 2 mM Mg.ADP.Vanadate