1KWO

SCALLOP MYOSIN S1-ATPgammaS-p-PDM IN THE ACTIN-DETACHED CONFORMATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.087
Spacegroup name	P 1
Unit cell lengths	51.816, 57.028, 151.708
Unit cell angles	95.16, 96.45, 100.93

Refinement procedure

Resolution	36.870 - 3.800
R-factor	0.238
Rwork	0.238
R-free	0.32800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b7t
RMSD bond length	0.011
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.900
High resolution limit [Å]	3.800	3.800
Number of reflections	14451
<I/σ(I)>	10.6	4.2
Completeness [%]	84.6	45.1
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	PEG 20000, magnesium chloride, ethylene glycol, Tris HCl, ATPgammaS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K