1KK8

SCALLOP MYOSIN (S1-ADP-BeFx) IN THE ACTIN-DETACHED CONFORMATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9298
Spacegroup name	P 1
Unit cell lengths	51.604, 58.527, 133.295
Unit cell angles	81.08, 84.94, 67.24

Refinement procedure

Resolution	30.000 * - 2.300
R-factor	0.234
Rwork	0.230
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b7t
RMSD bond length	0.010
RMSD bond angle	1.460 *
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]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.097 *	0.247 *
Number of reflections	49703
<I/σ(I)>	12	3.5
Completeness [%]	79.8	72.7
Redundancy	4.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	4 *	PEG 20000, magnesium chloride, ethylene glycol, Tris HCl, ADP-berillium floride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	reservoir	Tris	67.5 (mM)	pH8.5-9.0
3	1	reservoir	PEG20000	6.2-6.6 (%(w/v))