7B57

Crystal structure of CaMKII-actinin complex bound to ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9119
Spacegroup name	P 21 21 21
Unit cell lengths	65.918, 71.849, 91.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.530 - 1.950
R-factor	0.2059
Rwork	0.203
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vz6
RMSD bond length	0.006
RMSD bond angle	0.885
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.530	2.000
High resolution limit [Å]	1.950	1.950
Rpim	0.059	0.960
Number of reflections	32429	32429
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.967	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M MES pH 6.0, 20% w/v PEG4000, 0.2 M Lithium Sulfate