5KJ7

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

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)	1.307
Spacegroup name	P 21 21 21
Unit cell lengths	69.386, 170.676, 291.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.956 - 3.500
R-factor	0.2939
Rwork	0.292
R-free	0.32910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n7s 3f04 1uow
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	cctbx.xfel
Data scaling software	cctbx.prime
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.560
High resolution limit [Å]	3.500	3.500
Rmerge	0.494	0.795
Number of reflections	43622
<I/σ(I)>	3.6	0.2
Completeness [%]	97.8	89.2
Redundancy	6.1	2.9
CC(1/2)	0.943

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