1DFK

NUCLEOTIDE-FREE SCALLOP MYOSIN S1-NEAR RIGOR STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Spacegroup name	P 1 21 1
Unit cell lengths	86.500, 52.100, 164.600
Unit cell angles	90.00, 100.30, 90.00

Refinement procedure

Resolution	20.000 - 4.200
R-factor	0.415
Rwork	0.415
R-free	0.41000
RMSD bond length	0.018
RMSD bond angle	2.400
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	4.270
High resolution limit [Å]	4.200	4.200
Rmerge	0.063	0.308
Total number of observations	139608 *
Number of reflections	10676 *
<I/σ(I)>	27
Completeness [%]	97.9	85.2
Redundancy		1.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7	277	drop consists of equal amounts of protein and reservoir solutions *
1	Vapor diffusion, sitting drop *	7	277	drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	7 (%(v/v))
3	1	reservoir	MES	50 (mM)
4	1	reservoir		3 (mM)
5	1	drop	MgADP/VO4	0.5 (mM)