4J9Z

Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0781
Spacegroup name	C 1 2 1
Unit cell lengths	77.200, 66.850, 64.830
Unit cell angles	90.00, 93.81, 90.00

Refinement procedure

Resolution	27.790 - 1.660
R-factor	0.1922
Rwork	0.191
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.161
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.790	27.790	1.700
High resolution limit [Å]	1.660	7.420	1.660
Rmerge		0.039	0.733
Total number of observations		1864	14822
Number of reflections	38789
<I/σ(I)>	17.7	15.4	1.1
Completeness [%]	99.6	89.9	99.7
Redundancy	5.2	4.6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	1.25 M lithium sulfate, 0.5 M ammonium sulfate, 0.1 M sodium citrate, pH 5.6, vapor diffusion, hanging drop, temperature 298.0K