4DB1

Cardiac human myosin S1dC, beta isoform complexed with Mn-AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	100.206, 94.310, 110.894
Unit cell angles	90.00, 112.29, 90.00

Refinement procedure

Resolution	25.000 - 2.600
R-factor	0.2124
Rwork	0.210
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mys
RMSD bond length	0.009
RMSD bond angle	1.185
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP (10.2.31)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.640
High resolution limit [Å]	2.600	7.010	2.600
Rmerge	0.154
Number of reflections	58495
<I/σ(I)>	9.24	23.453	2.197
Completeness [%]	100.0	100	100
Redundancy	5	4.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	precipitant: 7.5% PEG 8000, 0.05M MES, 0.05M acetate, 0.25M sodium chloride, 0.01M manganese chloride, 0.1% sodium cholate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K