3F01

Crystal Structure of Synaptotagmin I C2A domain with Cu(II)

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	2008-04-05
Detector	SBC-3
Wavelength(s)	1.379
Spacegroup name	P 1 21 1
Unit cell lengths	42.088, 38.561, 44.267
Unit cell angles	90.00, 97.35, 90.00

Refinement procedure

Resolution	28.980 - 1.700
R-factor	0.195
Rwork	0.193
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f00
RMSD bond length	0.018
RMSD bond angle	1.351
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.050	0.032	0.164
Number of reflections	15627
<I/σ(I)>	54.378
Completeness [%]	99.4	96.1	97.4
Redundancy	5.3	5.2	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.0M Li2SO4, 100mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 298.0K