5IG1

Crystal structure of S. rosetta CaMKII kinase domain

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	2014-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43
Unit cell lengths	100.031, 100.031, 123.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.580 - 2.900
R-factor	0.1847
Rwork	0.183
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdw
RMSD bond length	0.004
RMSD bond angle	0.599
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]	46.580	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.103	0.700
Number of reflections	27096
<I/σ(I)>	8.4	2.1
Completeness [%]	100.0	100
Redundancy	3.8	3.8
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	295	1.8 M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH 6.9