7URZ

Hexadecameric 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	2020-03-09
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	P 42 21 2
Unit cell lengths	81.343, 81.343, 180.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.090 - 3.450
R-factor	0.3544
Rwork	0.352
R-free	0.40740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7urw
RMSD bond length	0.002
RMSD bond angle	1.192
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]	60.000	60.000	3.530
High resolution limit [Å]	3.450	9.410	3.470
Rmerge	0.368	0.116	1.273
Rmeas	0.403	0.126	1.361
Rpim	0.154	0.047	0.462
Number of reflections	8502	494	415
<I/σ(I)>	4.5
Completeness [%]	99.2	95.6	99
Redundancy	7.3	6.4	7.5
CC(1/2)		0.992	0.650

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