3MNQ

Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and resveratrol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	C 2 2 21
Unit cell lengths	88.900, 147.900, 153.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 2.200
R-factor	0.203
Rwork	0.201
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jj9
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.640	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.515
Number of reflections	51199
<I/σ(I)>	20.81	3.52
Completeness [%]	99.6	99.9
Redundancy	9.57	6.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	50mM Tris 7.6, 9% PEG 5000 MME, 140mM NaCl, 2% MPD, 5mM MgCl2, 5mM DTT, 1mM EGTA, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	50mM Tris 7.6, 9% PEG 5000 MME, 140mM NaCl, 2% MPD, 5mM MgCl2, 5mM DTT, 1mM EGTA, VAPOR DIFFUSION, HANGING DROP, temperature 277K