3KSP

Crystal structure of a putative ca/calmodulin-dependent kinase ii association domain (exig_1688) from exiguobacterium sibiricum 255-15 at 2.59 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97929
Spacegroup name	P 65 2 2
Unit cell lengths	76.226, 76.226, 144.157
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.831 - 2.590
R-factor	0.202
Rwork	0.201
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.831	28.831	2.690
High resolution limit [Å]	2.590	5.570	2.600
Rmerge	0.049	0.027	0.658
Number of reflections	8247	1488	1397
<I/σ(I)>	17.17	36.7	2.2
Completeness [%]	99.4	98.2	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	1.0000M sodium citrate, 0.1M CHES pH 9.5, 0.001 M Adenosine-5'-triphosphate (ATP), NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K