1MXE

Structure of the Complex of Calmodulin with the Target Sequence of CaMKI

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934, 0.9500, 0.9791, 0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	65.712, 69.581, 75.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.700
R-factor	0.18998
Rwork	0.188
R-free	0.22800 *
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.205
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.077	0.217
Number of reflections	38674
Completeness [%]	99.9	100
Redundancy	23.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8 *	16 *	Cacodylate, Calcium chloride, MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)
2	1	drop	Tris	20 (mM)	pH7.8
3	1	drop		30 (mM)
4	1	drop		1 (mM)
5	1	reservoir	sodium cacodylate	50 (mM)	pH5.5
6	1	reservoir		5 (mM)
7	1	reservoir	MPD	53-60 (%)