1NKN

VISUALIZING AN UNSTABLE COILED COIL: THE CRYSTAL STRUCTURE OF AN N-TERMINAL SEGMENT OF THE SCALLOP MYOSIN ROD

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
Detector	ADSC QUANTUM 4
Wavelength(s)	0.939
Spacegroup name	P 21 21 21
Unit cell lengths	54.034, 73.303, 102.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.2467
Rwork	0.243
R-free	0.28600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.012
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.062	0.203
Number of reflections	13342
<I/σ(I)>	21.1	5.28
Completeness [%]	90.4	75.7
Redundancy	4.7	2.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.9	16 *	sodium chloride, sodium azide, MOPS, PEG 200 MME, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	15-20 (%)
2	1	reservoir		50 (mM)
3	1	reservoir		2 (mM)
4	1	reservoir	MOPS	44 (mM)	pH6.9