5W5C

Crystal structure of the primed SNARE-Complexin-Synaptotagmin-1 C2AB complex

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]	80
Detector technology	PIXEL
Collection date	2015-11-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97922
Spacegroup name	P 21 21 2
Unit cell lengths	85.663, 89.683, 91.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.126 - 1.850
R-factor	0.1961
Rwork	0.195
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kil 3f04 1uow
RMSD bond length	0.016
RMSD bond angle	1.252
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.126	91.730	1.890
High resolution limit [Å]	1.850	9.050	1.850
Rmerge	0.099	0.030	7.511
Rmeas	0.102	0.031	7.734
Rpim	0.024	0.008	1.817
Total number of observations	1087199
Number of reflections	61236
<I/σ(I)>	19.4
Completeness [%]	99.8	99.9	97.2
Redundancy	17.8	16.3	17.6
CC(1/2)	1.000	1.000	0.318

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	100 mM HEPES, pH7.4, 15-20% PEG3350, 200 mM ammonium formate