8BAV

Secretagogin (human) in complex with its target peptide from SNAP-25

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	2020-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97996
Spacegroup name	P 21 21 21
Unit cell lengths	70.544, 120.439, 124.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.360 - 2.300
R-factor	0.19149
Rwork	0.188
R-free	0.26156
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ema 8ban
RMSD bond length	0.012
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.360	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.103	0.702
Rpim	0.079	0.545
Number of reflections	47592	4599
<I/σ(I)>	9.5
Completeness [%]	99.8	99.7
Redundancy	4.5	4.6
CC(1/2)	0.996	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2 M Na-acetate 20% PEG3350