1DFL

SCALLOP MYOSIN S1 COMPLEXED WITH MGADP:VANADATE-TRANSITION 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	53.032, 243.475, 124.650
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	20.000 - 3.800 *
R-factor	0.394
Rwork	0.394
R-free	0.40000
RMSD bond length	0.019
RMSD bond angle	2.300
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]	40.000	3.870
High resolution limit [Å]	3.800	3.800
Rmerge	0.098	0.216
Total number of observations	426824 *
Number of reflections	29173 *
<I/σ(I)>	20.4
Completeness [%]	95.5	80.9
Redundancy		2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	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	cacodylate	50 (mM)
3	1	reservoir	ammonium sulfate	50 (mM)
4	1	reservoir		10 (mM)
5	1	reservoir	glycerol	15 (%(v/v))
6	1	reservoir	PEG8000	7 (%(v/v))