3TUY

Phosphorylated Light Chain Domain of Scallop smooth Muscle Myosin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-23
Detector	ADSC QUANTUM 315r
Spacegroup name	P 1
Unit cell lengths	50.946, 69.232, 79.503
Unit cell angles	77.20, 85.99, 73.44

Refinement procedure

Resolution	48.831 - 2.498
R-factor	0.2005
Rwork	0.200
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pn7
RMSD bond length	0.009
RMSD bond angle	1.219
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.498	5.380	2.498
Number of reflections	32893
Completeness [%]	93.4	99.1	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	5mM Hepes-buffer, 10mM NaCl, 1mM MgCl2, 1mM CaCl2, 0.5mM TCEP, 1mM NaN3 7.5% (w/v) of MME PEG 2K, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K