5HU3

Drosophila CaMKII-D136N in complex with a phosphorylated fragment of the Eag potassium channel and Mg2+/ADP

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	2013-01-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	36.907, 59.217, 70.301
Unit cell angles	90.00, 96.68, 90.00

Refinement procedure

Resolution	30.075 - 1.885
R-factor	0.1936
Rwork	0.192
R-free	0.22780
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.017
RMSD bond angle	1.347
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	REFMAC
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.075	30.075	1.880
High resolution limit [Å]	1.820	7.050	1.820
Rmerge		0.014	0.572
Rmeas	0.041	0.017	0.736
Rpim	0.022	0.009	0.455
Total number of observations	87981	1271	5854
Number of reflections	26540
<I/σ(I)>	19.3	57.6	1.5
Completeness [%]	97.9	81.7	91
Redundancy	3.3	3.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293.15	19% PEG 4000, 0.1 M sodium citrate pH 5.0, 0.2 M ammonium acetate, 5 mM magnesium chloride, 0.8 mM ADP