6VZK

Crystal structure of human CaMKII-alpha (CAMK2A)kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-09
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.147, 56.928, 97.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.200 - 2.550
R-factor	0.2142
Rwork	0.210
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3soa
RMSD bond length	0.008
RMSD bond angle	1.589
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.550	7.320	2.700
Rmerge	0.195	0.103
Rmeas	0.215	0.117
Rpim	0.093	0.054	0.489
Number of reflections	8711	445	379
<I/σ(I)>	3.5
Completeness [%]	99.9	98.2	100
Redundancy	5.5	4.3	5.2
CC(1/2)		0.967	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG 6000, 50 mM HEPES, 3-Aminobenzene-sulfonic acid, 5-Sulfosalicylic acid dihydrate, p-Coumaric acid, PIPES, Terephthalic acid, Vanillic acid