7UIA

Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	140.742, 172.335, 137.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	109.010 - 2.590
R-factor	0.22711
Rwork	0.226
R-free	0.24897
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ffz 5jlv 6glw
RMSD bond length	0.005
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	137.160	2.670
High resolution limit [Å]	2.590	2.590
Number of reflections	52103	4444
<I/σ(I)>	19.9
Completeness [%]	100.0
Redundancy	12.1
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES, pH 7.5, 0.2 M potassium sulfate, 20% PEG 3350, and 5% (v/v) PEG 400