7UIR

Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1 in complex with ATP

Replaces:  6XF0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-23
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	43.494, 138.835, 154.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.310 - 3.100
R-factor	0.2342
Rwork	0.232
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vzk
RMSD bond length	0.005
RMSD bond angle	1.403
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	3.180
High resolution limit [Å]	3.100	8.480	3.130
Rmerge	0.287	0.118	0.870
Rmeas	0.317	0.132	0.977
Rpim	0.131	0.058	0.433
Number of reflections	16953	965	801
<I/σ(I)>	3.9
Completeness [%]	98.0	98	96.5
Redundancy	5.6	5.2	4.6
CC(1/2)		0.980	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M HEPES, 16% PEG 6000, 0.1% v/v Triton X-114