7URY

Tetradecameric hub domain of CaMKII beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	105.712, 182.795, 110.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.230 - 2.640
R-factor	0.2054
Rwork	0.204
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7urw
RMSD bond length	0.004
RMSD bond angle	1.324
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.640	7.160	2.640
Rmerge	0.072	0.035	0.443
Rmeas	0.083	0.041	0.508
Rpim	0.040	0.020	0.241
Total number of observations	102591
Number of reflections	28300	1424	1422
<I/σ(I)>	4.4
Completeness [%]	88.9	82.7	91.5
Redundancy	3.6	3.9	3.7
CC(1/2)		0.997	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROFLUIDIC	7	293	0.1 M imidazole pH 7, 0.15 M DL-Malic acid, 22% PEG methyl ether 550