7T5F

Botulinum neurotoxin Type B Light Chain complexed with nanobodies JLJ-G3 and JNE-B10

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	CCD
Collection date	2015-11-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979180
Spacegroup name	C 1 2 1
Unit cell lengths	149.320, 88.276, 114.481
Unit cell angles	90.00, 97.03, 90.00

Refinement procedure

Resolution	75.841 - 2.600
R-factor	0.1955
Rwork	0.194
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LcB
RMSD bond length	0.010
RMSD bond angle	1.277
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.841	2.740
High resolution limit [Å]	2.600	2.600
Number of reflections	45137	4493
<I/σ(I)>	8.2
Completeness [%]	99.2
Redundancy	2.3
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.2 M KI, 0.1 M MES pH 6.5, 25 % PEG 4000