1PRW

Crystal structure of bovine brain Ca++ calmodulin in a compact form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	63.320, 35.750, 68.030
Unit cell angles	90.00, 117.19, 90.00

Refinement procedure

Resolution	14.590 - 1.700
R-factor	0.186
Rwork	0.186
R-free	0.23500 *
Structure solution method	SIRSAS
RMSD bond length	0.005
RMSD bond angle	1.010 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.062 *	0.322 *
Number of reflections	12598 *
<I/σ(I)>	14.8	4.28
Completeness [%]	92.4 *	90.7
Redundancy	3.6	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	23 *	PEG 6000, sodium acetate, glycerol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		10 (mM)
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	PEG6000	40 (%)
4	1	reservoir	sodium acetate	50 (mM)
5	1	reservoir		10 (mM)	pH5.6