7B56

Crystal structure of CaMKII-actinin complex bound to AMPPNP

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	64.426, 72.510, 92.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.770 - 1.450
R-factor	0.1908
Rwork	0.190
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vz6
RMSD bond length	0.006
RMSD bond angle	0.974
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]	92.000	1.470
High resolution limit [Å]	1.450	1.450
Rpim	0.016	0.522
Number of reflections	77065	3786
<I/σ(I)>	18.5
Completeness [%]	100.0
Redundancy	12.1
CC(1/2)	0.999	0.825

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