9I8P

Human beta-cardiac myosin wild type 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	2024-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95372
Spacegroup name	P 43 2 2
Unit cell lengths	93.935, 93.935, 219.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.899 - 2.601
R-factor	0.2077
Rwork	0.206
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS (1.12.15)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP (1.21.2-5419-000)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.899	2.850
High resolution limit [Å]	2.601	2.601
Rmerge	0.319	2.320
Rmeas	0.325	2.366
Rpim	0.062	0.459
Number of reflections	21409	1070
<I/σ(I)>	10.8	1.8
Completeness [%]	69.1	14.6
Redundancy	26.8	26.2
CC(1/2)	0.997	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	25 % PEG 3350 w:v, 0.25 M lithium sulfate, 0.1M Tris-HCl, 2 mM Mg.ADP.Vanadate. Optimal crystals were obtained using the micro-seeding technique.