3JTD

Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation

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
Collection date	1997-12-25
Detector	PRINCETON 2K
Wavelength(s)	0.908
Spacegroup name	P 1
Unit cell lengths	42.000, 52.780, 58.510
Unit cell angles	113.36, 91.56, 100.60

Refinement procedure

Resolution	34.890 - 2.570
R-factor	0.2329
Rwork	0.233
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wdc
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.000
High resolution limit [Å]	2.570
Number of reflections	13187
<I/σ(I)>	12.298
Completeness [%]	90.5
Redundancy	2.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	277	100 mM bicine pH 8.3, 45 mM ammonium sulfate, 5 mM magnesium chloride, 2.5 mM EGTA, 3.0 mM sodium azide, 15% (wt/vol) PEG 4000, 4% (vol/vol) PEG 200, 6% (wt/vol) 2,3-butanediol, Hanging drop vapor diffusion, temperature 277K, VAPOR DIFFUSION, HANGING DROP