1PK8

Crystal Structure of Rat Synapsin I C Domain Complexed to Ca.ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-17
Detector	CUSTOM-MADE
Wavelength(s)	1.008
Spacegroup name	P 1
Unit cell lengths	70.600, 78.400, 135.000
Unit cell angles	80.60, 76.90, 71.80

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.222
Rwork	0.222
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aux ATPgammaS and Ca2+ removed
RMSD bond length	0.006
RMSD bond angle	24.300 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.058 *	0.373 *
Total number of observations	522852 *
Number of reflections	144586 *
<I/σ(I)>	20.9	2.8
Completeness [%]	96.3	92
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	299	PEGMME 5000, Tris, NaCl, Ca.ATP, EDTA, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 299K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	calcium ATP	10 (mM)
3	1	reservoir	Tris	150 (mM)	pH7.5
4	1	reservoir	PEG5000 MME	15-20 (%(w/v))
5	1	reservoir		300 (mM)