7VHC

Crystal structure of the STX2a complexed with AR4A peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-02-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1000
Spacegroup name	P 61
Unit cell lengths	146.226, 146.226, 60.205
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.860 - 1.800
R-factor	0.1677
Rwork	0.166
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d6r
RMSD bond length	0.006
RMSD bond angle	0.876
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.860	1.840
High resolution limit [Å]	1.800	1.800
Rpim	0.039	0.039
Number of reflections	68253	4025
<I/σ(I)>	17.7	3.1
Completeness [%]	100.0
Redundancy	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	4 M Sodium Formate, 100mM MES pH 6.5, 50 mM PPS