5IG4

Crystal structure of N. vectensis CaMKII-A hub

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	78.466, 180.100, 179.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.081 - 2.350
R-factor	0.1939
Rwork	0.192
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hkx
RMSD bond length	0.008
RMSD bond angle	0.845
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.680	2.420
High resolution limit [Å]	2.350	2.350
Rmerge	0.070	0.729
Number of reflections	52958
<I/σ(I)>	15.1	1.5
Completeness [%]	99.4	95.2
Redundancy	6.1	2.8
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.2 M potassium thiocyanate, 20% w/v PEG 3350