3MKD

Crystal structure of myosin-2 dictyostelium discoideum motor domain S456Y mutant in complex with adp-orthovanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00905
Spacegroup name	C 2 2 21
Unit cell lengths	89.601, 147.356, 153.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.2
Rwork	0.199
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vom
RMSD bond length	0.009
RMSD bond angle	1.370
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.093	0.471
Number of reflections	49256
<I/σ(I)>	16.2	2.9
Completeness [%]	94.8	70.1
Redundancy	5.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	278	50mM HEPES, 140mM sodium chloride, 11%(w/v) PEG 5000, 5mM magnesium chloride, 5mM DTT, 1mM EGTA, 2%(v/v) MPD, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 278K
1	VAPOR DIFFUSION, SITTING DROP	7.4	278	50mM HEPES, 140mM sodium chloride, 11%(w/v) PEG 5000, 5mM magnesium chloride, 5mM DTT, 1mM EGTA, 2%(v/v) MPD, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 278K