7AS6

2.0 angstrom structure of plant Extended Synaptotagmin 1, C2A domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979178
Spacegroup name	H 3
Unit cell lengths	70.937, 70.937, 116.309
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.230 - 2.000
R-factor	0.1872
Rwork	0.186
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ank
RMSD bond length	0.008
RMSD bond angle	0.911
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.233	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	1.664
Number of reflections	14603	1073
<I/σ(I)>	7.6
Completeness [%]	99.5
Redundancy	3.4
CC(1/2)	0.997	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12% w/v Polyethylene glycol 3350, 100 mM HEPES pH 7.5, 5 mM Cobalt (II) chloride hexahydrate, 5 mM Nickel (II) chloride hexahydrate, 5 mM Cadmium chloride hydrate and 5 mM Magnesium chloride hexahydrate.