9HTG

Beta-cardiac myosin E497D 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	2024-03-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98012
Spacegroup name	P 43 2 2
Unit cell lengths	93.427, 93.427, 220.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.620 - 2.596
R-factor	0.2033
Rwork	0.201
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
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]	93.427	2.918
High resolution limit [Å]	2.596	2.596
Rmerge	0.255	2.412
Rmeas	0.260	2.464
Rpim	0.050
Number of reflections	19417	971
<I/σ(I)>	10.5	1.7
Completeness [%]	62.6	10.8
Redundancy	26.4	23.7
CC(1/2)	0.998	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	22 % PEG 3350 w:v, 0.3 M lithium sulfate, 0.1M Tris-HCl, 2 mM Mg.ADP.Vanadate