6X5Q

Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-29
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.629, 57.456, 107.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.320 - 2.140
R-factor	0.1915
Rwork	0.189
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vzk
RMSD bond length	0.008
RMSD bond angle	1.518
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	2.180
High resolution limit [Å]	2.100	5.810	2.140
Rmerge	0.179	0.085	0.377
Rmeas	0.202	0.097	0.426
Rpim	0.091	0.045	0.194
Number of reflections	15265	869	724
<I/σ(I)>	3.2
Completeness [%]	96.9	97.1	92.7
Redundancy	4.9	4.1	4.4
CC(1/2)		0.995	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1 M Tris, 28% w/v PEG 4000