6G8V

Crystal structure of the light chain of botulinum neurotoxin X (residues 2-442)

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	2017-09-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	P 21 21 21
Unit cell lengths	60.320, 87.260, 93.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.328 - 1.450
R-factor	0.1457
Rwork	0.144
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qiz
RMSD bond length	0.010
RMSD bond angle	0.891
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.328	1.502
High resolution limit [Å]	1.450	1.450
Rmerge	0.076	2.994
Rmeas	0.079	3.111
Rpim	0.022	0.837
Number of reflections	88274	8719
<I/σ(I)>	18.51	0.9
Completeness [%]	99.9	99.89
Redundancy	13.3	13.5
CC(1/2)	0.999	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M HEPES 10% w/v PEG 6000 pH 7.0