3GWR

Crystal structure of Putative calcium/calmodulin-dependent protein kinase type II association domain (YP_315894.1) from THIOBACILLUS DENITRIFICANS ATCC 25259 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97966,0.97951
Spacegroup name	P 21 21 21
Unit cell lengths	41.445, 89.655, 90.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.892 - 2.010
R-factor	0.175
Rwork	0.173
R-free	0.21100
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.588
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.892	28.892	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.073	0.023	0.586
Number of reflections	22722	4119	3711
<I/σ(I)>	9.23	30.8	1.4
Completeness [%]	94.4	92.8	85.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	0.2000M NH4F, 20.0000% PEG-3350, No Buffer pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K