7B55

Crystal structure of CaMKII-actinin complex bound to MES

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	66.574, 70.023, 91.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.570 - 1.600
R-factor	0.1979
Rwork	0.197
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vz6
RMSD bond length	0.006
RMSD bond angle	0.807
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.320	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.018	0.783
Number of reflections	57062	2778
<I/σ(I)>	14.6	0.8
Completeness [%]	100.0
Redundancy	12.6
CC(1/2)	1.000	0.639

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