9FU2

Smooth Muscle Myosin II in complex with MT-228

This is a non-PDB format compatible entry.

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	2023-07-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980089
Spacegroup name	P 31
Unit cell lengths	83.106, 83.106, 132.251
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.970 - 2.581
R-factor	0.2303
Rwork	0.229
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.840
Data reduction software	XDS (Jan 10, 2022 (BUILT 20220820))
Data scaling software	Aimless (0.7.12)
Phasing software	MOLREP (11.9.02; 28.02.2022)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.970	2.660
High resolution limit [Å]	2.581	2.581
Rmerge	0.060	0.795
Rmeas	0.083	1.109
Rpim	0.057	0.770
Number of reflections	30543	2620
<I/σ(I)>	5.31	0.69
Completeness [%]	100.0	100
Redundancy	1.6	1.6
CC(1/2)	0.997	0.369

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	278	10% PEG 3350; 50 mM Bicine pH 8.2