5W5D

Crystal structure of the primed SNARE-Complexin-Synaptotagmin-1 C2B 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)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	85.202, 89.199, 87.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.599 - 2.496
R-factor	0.1997
Rwork	0.198
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kil 3f04 1uow
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.599	2.540
High resolution limit [Å]	2.496	2.496
Rmerge	0.115	0.408
Rpim	0.039	0.160
Number of reflections	22138	755
<I/σ(I)>	17.4	2.7
Completeness [%]	93.2	66.1
Redundancy	13	7.3
CC(1/2)	0.997	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM HEPES, pH7.0, 15-17% PEG3350, 240 mM sodium malonate