5H9B

Drosophila CaMKII-wt in complex with a fragment of the Eag potassium channel and Mg2+/AMPPN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98406
Spacegroup name	P 1 21 1
Unit cell lengths	35.823, 59.127, 70.339
Unit cell angles	90.00, 99.02, 90.00

Refinement procedure

Resolution	45.026 - 2.250
R-factor	0.2039
Rwork	0.203
R-free	0.22240
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.758
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.026	45.026	2.330
High resolution limit [Å]	2.250	8.710	2.250
Rmerge		0.031	0.793
Rmeas	0.080
Rpim	0.043	0.021	0.499
Total number of observations	47277	781	4686
Number of reflections	13806
<I/σ(I)>	10.4	28.4	1.7
Completeness [%]	99.4	98.2	99.5
Redundancy	3.4	3.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293.15	26% PEG 4000, 0.2 M ammonium acetate, 5 mM magnesium chloride, 0.8 mM AMPPNP, 0.1 M sodium citrate pH 5.0