3KK8

CaMKII Substrate Complex A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	.9537
Spacegroup name	P 65 2 2
Unit cell lengths	79.361, 79.361, 175.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.681 - 1.720
R-factor	0.179
Rwork	0.178
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.096
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER (1.3.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.729	1.780
High resolution limit [Å]	1.720	1.720
Number of reflections	35411
<I/σ(I)>	33.7
Completeness [%]	99.7	99.7
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	15% 2-methyl-2,4-pentanediol, .1M potassium cholride, 5 mM magnesium sulfate, 50mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.0, VAPOR DIFFUSION, temperature 293K