5CCH

Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (short unit cell form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	69.073, 171.626, 146.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 3.600
R-factor	0.251
Rwork	0.249
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n7s 3f04 1uow
RMSD bond length	0.004
RMSD bond angle	0.862
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.730
High resolution limit [Å]	3.600	7.750	3.600
Rmerge	0.067	0.048	0.741
Rmeas	0.105	0.050	0.948
Rpim	0.027	0.013	0.252
Total number of observations	302949
Number of reflections	20922
<I/σ(I)>	4
Completeness [%]	99.7	99.3	98.7
Redundancy	14.5	14.1	12.4
CC(1/2)		0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.25% v/v PEG8000, 25 mM HEPES-Na, 75 mM NaCl, 25 mM MgCl2, 0.25 mM CaCl2