1PX2

Crystal Structure of Rat Synapsin I C Domain Complexed to Ca.ATP (Form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	93
Detector technology	CCD
Collection date	2000-07-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.942
Spacegroup name	P 65 2 2
Unit cell lengths	96.000, 96.000, 305.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.230
R-factor	0.205
Rwork	0.203
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aux Ca and ATP-gamma-S removed
RMSD bond length	0.007
RMSD bond angle	1.400 *
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 *	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.082 *	0.391 *
Total number of observations	467389 *
Number of reflections	40542 *
<I/σ(I)>	29.9	6.1
Completeness [%]	99.8	100
Redundancy	11.2	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	299	PEGMME 5K, Tris, NaCl, Ca.ATP, EDTA, 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)