9Y5H

Crystal structure of rv-SNARE/sc-t-SNARE-diff-#3.3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 2.0.1
Synchrotron site	ALS
Beamline	2.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03753
Spacegroup name	P 21 21 21
Unit cell lengths	49.921, 56.550, 130.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.720 - 2.520
R-factor	0.2421
Rwork	0.236
R-free	0.29390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.282
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.620	2.620
High resolution limit [Å]	2.520	2.520
Rmerge	0.088	0.941
Rpim	0.041	0.413
Number of reflections	13073	1441
<I/σ(I)>	13.1	2.2
Completeness [%]	99.9	100
Redundancy	6.4	6.9
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.08 M Sodium cacodylate trihydrate pH 6.5, 20%v/v Glycerol, 0.16M Calcium acetate hydrate and 14.4% (w/v) PEG 8000