1HKX

Crystal structure of calcium/calmodulin-dependent protein kinase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Collection date	2002-03-15
Wavelength(s)	0.9187,0.9191,1.2543
Spacegroup name	C 1 2 1
Unit cell lengths	147.946, 118.043, 157.820
Unit cell angles	90.00, 110.91, 90.00

Refinement procedure

Resolution	20.000 * - 2.650
R-factor	0.246
Rwork	0.246
R-free	0.27900
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.420 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RAVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.710
High resolution limit [Å]	2.650	2.650
Rmerge	0.052	0.444
Total number of observations	977524 *
Number of reflections	73701
<I/σ(I)>	25.3	2
Completeness [%]	97.6	78.2
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.8	24 *	pH 4.80
1	Vapor diffusion, hanging drop *	4.8	24 *	pH 4.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	35 (mg/ml)
2	1	reservoir	MPD	20-25 (%)
3	1	reservoir		200 (mM)
4	1	reservoir	PEG400	2 (%)
5	1	reservoir	magnesium acetate	20 (mM)
6	1	reservoir	sodium acetate	100 (mM)	pH4.8