5T45

Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP.BeFx form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 2
Unit cell lengths	72.940, 202.170, 67.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.350 - 2.800
R-factor	0.222
Rwork	0.219
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1br1
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS (10.9.4)
Data scaling software	XSCALE (10.90.4)
Phasing software	PHASER (6.4.0)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.910
High resolution limit [Å]	2.800	2.800
Number of reflections	25175
<I/σ(I)>	8.88
Completeness [%]	99.6	99.9
Redundancy	7.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	Peg8K, 50 mM Bicine pH 8.2, 10% DMSO