7URW

Tetradecameric hub domain of CaMKII beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-05
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	104.236, 183.189, 108.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 3.110
R-factor	0.257
Rwork	0.255
R-free	0.30020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ux0
RMSD bond length	0.005
RMSD bond angle	1.327
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	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.291	0.090	1.454
Rmeas	0.320	0.099	1.613
Rpim	0.130	0.042	0.686
Total number of observations	115675
Number of reflections	18780	1032	885
<I/σ(I)>	6.2
Completeness [%]	98.5	99	95.4
Redundancy	6.2	5.6	5.5
CC(1/2)		0.962	0.567

Crystallization Conditions

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