8BBJ

Secretagogin (mouse) in complex with its target peptide from Syntaxin-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	110
Detector technology	PIXEL
Collection date	2021-02-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	79.409, 103.134, 121.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.289 - 2.650
R-factor	0.216
Rwork	0.213
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ema 8ban
RMSD bond length	0.004
RMSD bond angle	0.760
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.680	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.070	0.678
Rpim	0.059	0.574
Number of reflections	28954	3847
<I/σ(I)>	8.2	1.4
Completeness [%]	98.2
Redundancy	3.3
CC(1/2)	0.998	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	277	0.1 M Na cacodylate pH 5.5, 0.2 M NH4SO4, 25% v/v PEGSM (PEG-smear)