1IC2

DECIPHERING THE DESIGN OF THE TROPOMYOSIN MOLECULE

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)	0.908
Spacegroup name	P 1
Unit cell lengths	41.400, 45.500, 56.300
Unit cell angles	93.70, 98.10, 104.40

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.249 *
Rwork	0.249
R-free	0.28350
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	13.170 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.087	0.139
Number of reflections	26797
<I/σ(I)>	15.4	10
Completeness [%]	99.9	99.5
Redundancy	10	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	277	used macroseeding *
1	VAPOR DIFFUSION	7.6	277	used macroseeding *
1	VAPOR DIFFUSION	7.6	277	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG200	17 (%)
2	1	reservoir	isopropanol	10 (%)
3	1	reservoir		16 (mM)
4	1	reservoir	ammonium acetate	70 (mM)
5	1	reservoir	Tris