5M05

Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP 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	2012-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.980110
Spacegroup name	P 21 21 2
Unit cell lengths	73.190, 202.970, 67.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.680 - 2.675
R-factor	0.1876
Rwork	0.185
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1br1
RMSD bond length	0.009
RMSD bond angle	1.243
Data reduction software	XDS (10.9.4)
Data scaling software	XSCALE (10.90.4)
Phasing software	PHASER (6.4.0)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.680	2.770
High resolution limit [Å]	2.670	2.670
Rmerge	0.100	0.800
Number of reflections	29000
<I/σ(I)>	14.23	1.97
Completeness [%]	99.0	91
Redundancy	7	6.6

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