5MOY

Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal domain of its neuronal receptor SV2C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	47.740, 91.570, 147.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.785 - 2.302
R-factor	0.1975
Rwork	0.195
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vu9 4jra
RMSD bond length	0.010
RMSD bond angle	1.017
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.8)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.785	45.785	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.108	0.024	1.636
Rmeas	0.118
Total number of observations	192878
Number of reflections	29498
<I/σ(I)>	12.56	45.19	1.07
Completeness [%]	99.9	99.2	100
Redundancy	6.539	5.644	6.815
CC(1/2)	0.998	1.000	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285	20% PEG 8000, 65 mM Hepes