5CCG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE XPP
Synchrotron site	SLAC LCLS
Beamline	XPP
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-20
Detector	RAYONIX MX-325
Wavelength(s)	1.3
Spacegroup name	P 21 21 21
Unit cell lengths	69.603, 171.092, 291.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.972 - 3.500
R-factor	0.3233
Rwork	0.322
R-free	0.35250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n7s 3f04 1uow
RMSD bond length	0.003
RMSD bond angle	0.758
Data reduction software	cctbx.xfel
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.397	0.322
Number of reflections	39174
<I/σ(I)>	7.7	2.6
Completeness [%]	87.6	65.6
Redundancy	5	1.8
CC(1/2)	0.927	0.355

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