1OOJ

Structural genomics of Caenorhabditis elegans : Calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.107
Spacegroup name	C 1 2 1
Unit cell lengths	103.394, 23.997, 60.770
Unit cell angles	90.00, 112.14, 90.00

Refinement procedure

Resolution	30.000 - 2.110
R-factor	0.223
Rwork	0.212
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cln
RMSD bond length	0.007
RMSD bond angle	1.120 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.190
High resolution limit [Å]	2.110	2.110
Rmerge	0.071 *	0.202 *
Total number of observations	29757 *
Number of reflections	8241
<I/σ(I)>	12	9.3
Completeness [%]	99.7	99.8
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	295	PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K, RESERVOIR: MPD, PEG3350, DIOXANE, 5 MM CACL2, 50 MM CITRATE, PH 5.7, PROTEIN STOCK: 5 MG/ML IN 5 MM CACL2, 5 MM CACODYLATE, PH 6, DROPS: 5 MICROLITERS OF PROTEIN STOCK SOLUTION, 5 MICROLITERS OF RESERVOIR.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	isopropanol	20 (mM)
2	1	drop		5 (mM)
3	1	drop	sodium cacodylate	5 (mM)	pH6.
4	1	drop	protein	5 (mg/ml)
5	1	reservoir	MPD	50 (%(v/v))
6	1	reservoir	PEG3350	45 (%(w/v))
7	1	reservoir	dioxane	12 (%(v/v))
8	1	reservoir		5 (mM)
9	1	reservoir	sodium citrate	50 (mM)	pH5.7