7UJT

Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP

Replaces:  6XOE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-09
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	47.308, 67.252, 45.722
Unit cell angles	90.00, 94.43, 90.00

Refinement procedure

Resolution	38.650 - 2.100
R-factor	0.2055
Rwork	0.203
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vzk
RMSD bond length	0.002
RMSD bond angle	1.176
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.098	0.049	0.297
Rmeas	0.117	0.060	0.362
Rpim	0.062	0.034	0.204
Total number of observations	54369
Number of reflections	16704	869	803
<I/σ(I)>	9.9
Completeness [%]	99.6	99.5	97.3
Redundancy	3.3	3	2.8
CC(1/2)		0.995	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M 1,3-bis(tris(hydroxymethyl)methylamino)propane, 0.2 M Sodium chloride, 25% PEG 3350