3MJX

Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	C 2 2 21
Unit cell lengths	89.308, 147.026, 154.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.205
Rwork	0.204
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB-Entry 1VOM
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.295
Number of reflections	51825
<I/σ(I)>	16.34	4.4
Completeness [%]	99.8	100
Redundancy	9	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	277	50 MM HEPES PH 7.4, 140 MM NACL, 11% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA, 4mM ADP, 4mM meta-vanadate, 0.2 mM blebbistatin., VAPOR DIFFUSION, temperature 277K
1	VAPOR DIFFUSION	7.4	277	50 MM HEPES PH 7.4, 140 MM NACL, 11% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA, 4mM ADP, 4mM meta-vanadate, 0.2 mM blebbistatin., VAPOR DIFFUSION, temperature 277K