6Z7U

Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation

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	2019-09-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	47.373, 88.697, 199.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 2.580
R-factor	0.2018
Rwork	0.200
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aka
RMSD bond length	0.006
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.670
High resolution limit [Å]	2.580	2.580
Number of reflections	27424	2669
<I/σ(I)>	14.41	1.88
Completeness [%]	99.9	99.9
Redundancy	13.2
CC(1/2)	0.998	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M HEPES, pH7.5, 10% PEG8000, 8% ethylene glycol